4-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide

C25H23ClN8O — CID 134178018

IUPAC4-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2ncnc(N)c12
InChIInChI=1S/C25H23ClN8O/c1-13-5-21(27)33-14(2)18(13)9-30-25(35)19-11-34(24-22(19)23(28)31-12-32-24)10-15-3-4-20-16(6-15)7-17(26)8-29-20/h3-8,11-12H,9-10H2,1-2H3,(H2,27,33)(H,30,35)(H2,28,31,32)
InChIKeyKGPFROBTQTWIBZ-UHFFFAOYSA-N
MW486.97 g/mol
LogP3.79
Rot. Bonds5

About 4-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide

4-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 134178018) has the molecular formula C25H23ClN8O and a molecular weight of 486.97 g/mol. Its IUPAC name is 4-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
PubChem CID134178018
Molecular FormulaC25H23ClN8O
Molecular Weight486.97 g/mol
Exact Mass486.17
IUPAC Name4-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2ncnc(N)c12
InChIInChI=1S/C25H23ClN8O/c1-13-5-21(27)33-14(2)18(13)9-30-25(35)19-11-34(24-22(19)23(28)31-12-32-24)10-15-3-4-20-16(6-15)7-17(26)8-29-20/h3-8,11-12H,9-10H2,1-2H3,(H2,27,33)(H,30,35)(H2,28,31,32)
InChIKeyKGPFROBTQTWIBZ-UHFFFAOYSA-N
XLogP3.79
TPSA137.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.97
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 134178018) is 4-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2ncnc(N)c12.
What is the InChIKey of 4-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is KGPFROBTQTWIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN8O/c1-13-5-21(27)33-14(2)18(13)9-30-25(35)19-11-34(24-22(19)23(28)31-12-32-24)10-15-3-4-20-16(6-15)7-17(26)8-29-20/h3-8,11-12H,9-10H2,1-2H3,(H2,27,33)(H,30,35)(H2,28,31,32).
What are the key properties of 4-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide?
4-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 486.97 g/mol, XLogP of 3.79, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 134178018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).