3-[[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one

C26H25ClN6O — CID 166896441

IUPAC3-[[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCc1cc(N)nc(C)c1CNCc1cn(Cc2ccc3ncc(Cl)cc3c2)c2cc[nH]c(=O)c12
InChIInChI=1S/C26H25ClN6O/c1-15-7-24(28)32-16(2)21(15)12-29-10-19-14-33(23-5-6-30-26(34)25(19)23)13-17-3-4-22-18(8-17)9-20(27)11-31-22/h3-9,11,14,29H,10,12-13H2,1-2H3,(H2,28,32)(H,30,34)
InChIKeyZCHSIVQRTXFWCB-UHFFFAOYSA-N
MW472.98 g/mol
LogP4.46
Rot. Bonds6

About 3-[[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one

3-[[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 166896441) has the molecular formula C26H25ClN6O and a molecular weight of 472.98 g/mol. Its IUPAC name is 3-[[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-[[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID166896441
Molecular FormulaC26H25ClN6O
Molecular Weight472.98 g/mol
Exact Mass472.18
IUPAC Name3-[[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCc1cc(N)nc(C)c1CNCc1cn(Cc2ccc3ncc(Cl)cc3c2)c2cc[nH]c(=O)c12
InChIInChI=1S/C26H25ClN6O/c1-15-7-24(28)32-16(2)21(15)12-29-10-19-14-33(23-5-6-30-26(34)25(19)23)13-17-3-4-22-18(8-17)9-20(27)11-31-22/h3-9,11,14,29H,10,12-13H2,1-2H3,(H2,28,32)(H,30,34)
InChIKeyZCHSIVQRTXFWCB-UHFFFAOYSA-N
XLogP4.46
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.98
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 3-[[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one (CID 166896441) is 3-[[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-[[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-[[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one is Cc1cc(N)nc(C)c1CNCc1cn(Cc2ccc3ncc(Cl)cc3c2)c2cc[nH]c(=O)c12.
What is the InChIKey of 3-[[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is ZCHSIVQRTXFWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN6O/c1-15-7-24(28)32-16(2)21(15)12-29-10-19-14-33(23-5-6-30-26(34)25(19)23)13-17-3-4-22-18(8-17)9-20(27)11-31-22/h3-9,11,14,29H,10,12-13H2,1-2H3,(H2,28,32)(H,30,34).
What are the key properties of 3-[[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one?
3-[[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 472.98 g/mol, XLogP of 4.46, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 166896441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).