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Tert-butyl N-[2-[4-[5-amino-6-carbamoyl-4-(5-methyl-1H-indazol-4-yl)-2-pyridinyl]pyrimidin-2-yl]oxyethyl]-N-methylcarbamate

C26H30N8O4 — CID 177283506

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACtert-butyl N-[2-[4-[5-amino-6-carbamoyl-4-(5-methyl-1H-indazol-4-yl)-2-pyridinyl]pyrimidin-2-yl]oxyethyl]-N-methylcarbamate
SMILESCc1ccc2[nH]ncc2c1-c1cc(-c2ccnc(OCCN(C)C(=O)OC(C)(C)C)n2)nc(C(N)=O)c1N
InChIInChI=1S/C26H30N8O4/c1-14-6-7-17-16(13-30-33-17)20(14)15-12-19(31-22(21(15)27)23(28)35)18-8-9-29-24(32-18)37-11-10-34(5)25(36)38-26(2,3)4/h6-9,12-13H,10-11,27H2,1-5H3,(H2,28,35)(H,30,33)
InChIKeyNKUMDPZRQNPILQ-UHFFFAOYSA-N
MW518.58 g/mol
LogP3.32
Rot. Bonds7

About Tert-butyl N-[2-[4-[5-amino-6-carbamoyl-4-(5-methyl-1H-indazol-4-yl)-2-pyridinyl]pyrimidin-2-yl]oxyethyl]-N-methylcarbamate

Tert-butyl N-[2-[4-[5-amino-6-carbamoyl-4-(5-methyl-1H-indazol-4-yl)-2-pyridinyl]pyrimidin-2-yl]oxyethyl]-N-methylcarbamate (PubChem CID 177283506) has the molecular formula C26H30N8O4 and a molecular weight of 518.58 g/mol. Its IUPAC name is tert-butyl N-[2-[4-[5-amino-6-carbamoyl-4-(5-methyl-1H-indazol-4-yl)-2-pyridinyl]pyrimidin-2-yl]oxyethyl]-N-methylcarbamate.

Molecular Properties

Compound NameTert-butyl N-[2-[4-[5-amino-6-carbamoyl-4-(5-methyl-1H-indazol-4-yl)-2-pyridinyl]pyrimidin-2-yl]oxyethyl]-N-methylcarbamate
PubChem CID177283506
Molecular FormulaC26H30N8O4
Molecular Weight518.58 g/mol
Exact Mass518.24
IUPAC Nametert-butyl N-[2-[4-[5-amino-6-carbamoyl-4-(5-methyl-1H-indazol-4-yl)-2-pyridinyl]pyrimidin-2-yl]oxyethyl]-N-methylcarbamate
SMILESCc1ccc2[nH]ncc2c1-c1cc(-c2ccnc(OCCN(C)C(=O)OC(C)(C)C)n2)nc(C(N)=O)c1N
InChIInChI=1S/C26H30N8O4/c1-14-6-7-17-16(13-30-33-17)20(14)15-12-19(31-22(21(15)27)23(28)35)18-8-9-29-24(32-18)37-11-10-34(5)25(36)38-26(2,3)4/h6-9,12-13H,10-11,27H2,1-5H3,(H2,28,35)(H,30,33)
InChIKeyNKUMDPZRQNPILQ-UHFFFAOYSA-N
XLogP3.32
TPSA175.23 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.58
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of Tert-butyl N-[2-[4-[5-amino-6-carbamoyl-4-(5-methyl-1H-indazol-4-yl)-2-pyridinyl]pyrimidin-2-yl]oxyethyl]-N-methylcarbamate?
The IUPAC name of Tert-butyl N-[2-[4-[5-amino-6-carbamoyl-4-(5-methyl-1H-indazol-4-yl)-2-pyridinyl]pyrimidin-2-yl]oxyethyl]-N-methylcarbamate (CID 177283506) is tert-butyl N-[2-[4-[5-amino-6-carbamoyl-4-(5-methyl-1H-indazol-4-yl)-2-pyridinyl]pyrimidin-2-yl]oxyethyl]-N-methylcarbamate.
What is the SMILES notation for Tert-butyl N-[2-[4-[5-amino-6-carbamoyl-4-(5-methyl-1H-indazol-4-yl)-2-pyridinyl]pyrimidin-2-yl]oxyethyl]-N-methylcarbamate?
The canonical SMILES for Tert-butyl N-[2-[4-[5-amino-6-carbamoyl-4-(5-methyl-1H-indazol-4-yl)-2-pyridinyl]pyrimidin-2-yl]oxyethyl]-N-methylcarbamate is Cc1ccc2[nH]ncc2c1-c1cc(-c2ccnc(OCCN(C)C(=O)OC(C)(C)C)n2)nc(C(N)=O)c1N.
What is the InChIKey of Tert-butyl N-[2-[4-[5-amino-6-carbamoyl-4-(5-methyl-1H-indazol-4-yl)-2-pyridinyl]pyrimidin-2-yl]oxyethyl]-N-methylcarbamate?
The InChIKey is NKUMDPZRQNPILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O4/c1-14-6-7-17-16(13-30-33-17)20(14)15-12-19(31-22(21(15)27)23(28)35)18-8-9-29-24(32-18)37-11-10-34(5)25(36)38-26(2,3)4/h6-9,12-13H,10-11,27H2,1-5H3,(H2,28,35)(H,30,33).
What are the key properties of Tert-butyl N-[2-[4-[5-amino-6-carbamoyl-4-(5-methyl-1H-indazol-4-yl)-2-pyridinyl]pyrimidin-2-yl]oxyethyl]-N-methylcarbamate?
Tert-butyl N-[2-[4-[5-amino-6-carbamoyl-4-(5-methyl-1H-indazol-4-yl)-2-pyridinyl]pyrimidin-2-yl]oxyethyl]-N-methylcarbamate has a molecular weight of 518.58 g/mol, XLogP of 3.32, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for Tert-butyl N-[2-[4-[5-amino-6-carbamoyl-4-(5-methyl-1H-indazol-4-yl)-2-pyridinyl]pyrimidin-2-yl]oxyethyl]-N-methylcarbamate is sourced from PubChem (CID 177283506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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