tert-butyl N-(5-formyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[(6-methoxy-3-pyridinyl)methyl]-N-[5-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-pyridinyl]carbamate;[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone;7H-pyrrolo[2,3-d]pyrimidine

C92H93N23O14 — CID 159663666

IUPACtert-butyl N-(5-formyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[(6-methoxy-3-pyridinyl)methyl]-N-[5-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-pyridinyl]carbamate;[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone;7H-pyrrolo[2,3-d]pyrimidine
SMILESCOc1ccc(CCc2ccc(C(=O)c3c[nH]c4ncncc34)cn2)cn1.COc1ccc(CN(C(=O)OC(C)(C)C)c2ccc(C(=O)c3c[nH]c4ncncc34)cn2)cn1.COc1ccc(CN(C(=O)OC(C)(C)C)c2ccc(C(O)c3c[nH]c4ncncc34)cn2)cn1.COc1ccc(CN(C(=O)OC(C)(C)C)c2ccc(C=O)cn2)cn1.c1ncc2cc[nH]c2n1
InChIInChI=1S/C24H26N6O4.C24H24N6O4.C20H17N5O2.C18H21N3O4.C6H5N3/c2*1-24(2,3)34-23(32)30(13-15-5-8-20(33-4)27-9-15)19-7-6-16(10-26-19)21(31)17-12-28-22-18(17)11-25-14-29-22;1-27-18-7-3-13(8-23-18)2-5-15-6-4-14(9-22-15)19(26)16-11-24-20-17(16)10-21-12-25-20;1-18(2,3)25-17(23)21(15-7-5-14(12-22)10-19-15)11-13-6-8-16(24-4)20-9-13;1-2-8-6-5(1)3-7-4-9-6/h5-12,14,21,31H,13H2,1-4H3,(H,25,28,29);5-12,14H,13H2,1-4H3,(H,25,28,29);3-4,6-12H,2,5H2,1H3,(H,21,24,25);5-10,12H,11H2,1-4H3;1-4H,(H,7,8,9)
InChIKeyMTDAWAIUIXLSMC-UHFFFAOYSA-N
MW1744.90 g/mol
LogP14.68
Rot. Bonds23

About tert-butyl N-(5-formyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[(6-methoxy-3-pyridinyl)methyl]-N-[5-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-pyridinyl]carbamate;[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone;7H-pyrrolo[2,3-d]pyrimidine

tert-butyl N-(5-formyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[(6-methoxy-3-pyridinyl)methyl]-N-[5-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-pyridinyl]carbamate;[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone;7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 159663666) has the molecular formula C92H93N23O14 and a molecular weight of 1744.90 g/mol. Its IUPAC name is tert-butyl N-(5-formyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[(6-methoxy-3-pyridinyl)methyl]-N-[5-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-pyridinyl]carbamate;[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone;7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Nametert-butyl N-(5-formyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[(6-methoxy-3-pyridinyl)methyl]-N-[5-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-pyridinyl]carbamate;[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone;7H-pyrrolo[2,3-d]pyrimidine
PubChem CID159663666
Molecular FormulaC92H93N23O14
Molecular Weight1744.90 g/mol
Exact Mass1743.73
IUPAC Nametert-butyl N-(5-formyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[(6-methoxy-3-pyridinyl)methyl]-N-[5-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-pyridinyl]carbamate;[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone;7H-pyrrolo[2,3-d]pyrimidine
SMILESCOc1ccc(CCc2ccc(C(=O)c3c[nH]c4ncncc34)cn2)cn1.COc1ccc(CN(C(=O)OC(C)(C)C)c2ccc(C(=O)c3c[nH]c4ncncc34)cn2)cn1.COc1ccc(CN(C(=O)OC(C)(C)C)c2ccc(C(O)c3c[nH]c4ncncc34)cn2)cn1.COc1ccc(CN(C(=O)OC(C)(C)C)c2ccc(C=O)cn2)cn1.c1ncc2cc[nH]c2n1
InChIInChI=1S/C24H26N6O4.C24H24N6O4.C20H17N5O2.C18H21N3O4.C6H5N3/c2*1-24(2,3)34-23(32)30(13-15-5-8-20(33-4)27-9-15)19-7-6-16(10-26-19)21(31)17-12-28-22-18(17)11-25-14-29-22;1-27-18-7-3-13(8-23-18)2-5-15-6-4-14(9-22-15)19(26)16-11-24-20-17(16)10-21-12-25-20;1-18(2,3)25-17(23)21(15-7-5-14(12-22)10-19-15)11-13-6-8-16(24-4)20-9-13;1-2-8-6-5(1)3-7-4-9-6/h5-12,14,21,31H,13H2,1-4H3,(H,25,28,29);5-12,14H,13H2,1-4H3,(H,25,28,29);3-4,6-12H,2,5H2,1H3,(H,21,24,25);5-10,12H,11H2,1-4H3;1-4H,(H,7,8,9)
InChIKeyMTDAWAIUIXLSMC-UHFFFAOYSA-N
XLogP14.68
TPSA466.38 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds23
Heavy Atoms129
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001744.90
LogP ≤ 514.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze tert-butyl N-(5-formyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[(6-methoxy-3-pyridinyl)methyl]-N-[5-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-pyridinyl]carbamate;[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone;7H-pyrrolo[2,3-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-formyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[(6-methoxy-3-pyridinyl)methyl]-N-[5-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-pyridinyl]carbamate;[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone;7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of tert-butyl N-(5-formyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[(6-methoxy-3-pyridinyl)methyl]-N-[5-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-pyridinyl]carbamate;[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone;7H-pyrrolo[2,3-d]pyrimidine (CID 159663666) is tert-butyl N-(5-formyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[(6-methoxy-3-pyridinyl)methyl]-N-[5-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-pyridinyl]carbamate;[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone;7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for tert-butyl N-(5-formyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[(6-methoxy-3-pyridinyl)methyl]-N-[5-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-pyridinyl]carbamate;[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone;7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for tert-butyl N-(5-formyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[(6-methoxy-3-pyridinyl)methyl]-N-[5-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-pyridinyl]carbamate;[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone;7H-pyrrolo[2,3-d]pyrimidine is COc1ccc(CCc2ccc(C(=O)c3c[nH]c4ncncc34)cn2)cn1.COc1ccc(CN(C(=O)OC(C)(C)C)c2ccc(C(=O)c3c[nH]c4ncncc34)cn2)cn1.COc1ccc(CN(C(=O)OC(C)(C)C)c2ccc(C(O)c3c[nH]c4ncncc34)cn2)cn1.COc1ccc(CN(C(=O)OC(C)(C)C)c2ccc(C=O)cn2)cn1.c1ncc2cc[nH]c2n1.
What is the InChIKey of tert-butyl N-(5-formyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[(6-methoxy-3-pyridinyl)methyl]-N-[5-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-pyridinyl]carbamate;[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone;7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is MTDAWAIUIXLSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4.C24H24N6O4.C20H17N5O2.C18H21N3O4.C6H5N3/c2*1-24(2,3)34-23(32)30(13-15-5-8-20(33-4)27-9-15)19-7-6-16(10-26-19)21(31)17-12-28-22-18(17)11-25-14-29-22;1-27-18-7-3-13(8-23-18)2-5-15-6-4-14(9-22-15)19(26)16-11-24-20-17(16)10-21-12-25-20;1-18(2,3)25-17(23)21(15-7-5-14(12-22)10-19-15)11-13-6-8-16(24-4)20-9-13;1-2-8-6-5(1)3-7-4-9-6/h5-12,14,21,31H,13H2,1-4H3,(H,25,28,29);5-12,14H,13H2,1-4H3,(H,25,28,29);3-4,6-12H,2,5H2,1H3,(H,21,24,25);5-10,12H,11H2,1-4H3;1-4H,(H,7,8,9).
What are the key properties of tert-butyl N-(5-formyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[(6-methoxy-3-pyridinyl)methyl]-N-[5-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-pyridinyl]carbamate;[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone;7H-pyrrolo[2,3-d]pyrimidine?
tert-butyl N-(5-formyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[(6-methoxy-3-pyridinyl)methyl]-N-[5-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-pyridinyl]carbamate;[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone;7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 1744.90 g/mol, XLogP of 14.68, 23 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-formyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[(6-methoxy-3-pyridinyl)methyl]-N-[5-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-pyridinyl]carbamate;[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone;7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 159663666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).