1-N-(cyclopentylmethyl)-6-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinoline-1,6-diamine

C22H23N5 — CID 158219698

IUPAC1-N-(cyclopentylmethyl)-6-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinoline-1,6-diamine
SMILESc1cnc2c(c1)CN=C2Nc1ccc2c(NCC3CCCC3)nccc2c1
InChIInChI=1S/C22H23N5/c1-2-5-15(4-1)13-25-21-19-8-7-18(12-16(19)9-11-24-21)27-22-20-17(14-26-22)6-3-10-23-20/h3,6-12,15H,1-2,4-5,13-14H2,(H,24,25)(H,26,27)
InChIKeyCMWFGZZBJGWRAN-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.60
Rot. Bonds4

About 1-N-(cyclopentylmethyl)-6-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinoline-1,6-diamine

1-N-(cyclopentylmethyl)-6-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinoline-1,6-diamine (PubChem CID 158219698) has the molecular formula C22H23N5 and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-N-(cyclopentylmethyl)-6-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinoline-1,6-diamine.

Molecular Properties

Compound Name1-N-(cyclopentylmethyl)-6-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinoline-1,6-diamine
PubChem CID158219698
Molecular FormulaC22H23N5
Molecular Weight357.46 g/mol
Exact Mass357.20
IUPAC Name1-N-(cyclopentylmethyl)-6-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinoline-1,6-diamine
SMILESc1cnc2c(c1)CN=C2Nc1ccc2c(NCC3CCCC3)nccc2c1
InChIInChI=1S/C22H23N5/c1-2-5-15(4-1)13-25-21-19-8-7-18(12-16(19)9-11-24-21)27-22-20-17(14-26-22)6-3-10-23-20/h3,6-12,15H,1-2,4-5,13-14H2,(H,24,25)(H,26,27)
InChIKeyCMWFGZZBJGWRAN-UHFFFAOYSA-N
XLogP4.60
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-N-(cyclopentylmethyl)-6-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinoline-1,6-diamine with MolForge

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Related Compounds

1-[(3-methylcyclobutyl)methyl]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine
CID 158904620
1-propyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine
CID 158812774
1-[(3R)-oxolan-3-yl]oxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine
CID 162030162
1-(3-methoxyphenoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine
CID 158812777
1-N-methyl-1-N-(2-piperidin-1-ylethyl)-6-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinoline-1,6-diamine
CID 158904621
1-N-(oxan-3-ylmethyl)-6-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinoline-1,6-diamine
CID 163957200
1-[(3-fluoro-3-methylcyclobutyl)methyl]-N-(2-fluoro-5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-[(3-fluoro-3-methylcyclobutyl)methyl]-N-(3-fluoro-7H-pyrrolo[3,4-b]pyridin-5-yl)isoquinolin-6-amine;1-N-(2-methoxyethyl)-1-N-methyl-6-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)isoquinoline-1,6-diamine;1-N-methyl-1-N-(oxolan-2-ylmethyl)-6-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinoline-1,6-diamine;1-N-(oxan-3-ylmethyl)-6-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinoline-1,6-diamine;1-N-(oxan-3-ylmethyl)-6-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)isoquinoline-1,6-diamine
CID 163484241
1-[4-[6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)naphthalene-1-carbonyl]piperazin-1-yl]ethanone
CID 161424529
3-[(4-methoxypiperidin-1-yl)methyl]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1,2-benzoxazol-6-amine
CID 158510489
N-(cyclopentylmethyl)-7-methoxyisoquinolin-1-amine
CID 106537491
N-(cyclohexylmethyl)-3-methylpyridin-2-amine
CID 60960481
N-[(2-aminocyclohexyl)methyl]-6-methoxyisoquinolin-1-amine
CID 106543382

Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclopentylmethyl)-6-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinoline-1,6-diamine?
The IUPAC name of 1-N-(cyclopentylmethyl)-6-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinoline-1,6-diamine (CID 158219698) is 1-N-(cyclopentylmethyl)-6-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinoline-1,6-diamine.
What is the SMILES notation for 1-N-(cyclopentylmethyl)-6-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinoline-1,6-diamine?
The canonical SMILES for 1-N-(cyclopentylmethyl)-6-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinoline-1,6-diamine is c1cnc2c(c1)CN=C2Nc1ccc2c(NCC3CCCC3)nccc2c1.
What is the InChIKey of 1-N-(cyclopentylmethyl)-6-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinoline-1,6-diamine?
The InChIKey is CMWFGZZBJGWRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5/c1-2-5-15(4-1)13-25-21-19-8-7-18(12-16(19)9-11-24-21)27-22-20-17(14-26-22)6-3-10-23-20/h3,6-12,15H,1-2,4-5,13-14H2,(H,24,25)(H,26,27).
What are the key properties of 1-N-(cyclopentylmethyl)-6-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinoline-1,6-diamine?
1-N-(cyclopentylmethyl)-6-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinoline-1,6-diamine has a molecular weight of 357.46 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(cyclopentylmethyl)-6-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinoline-1,6-diamine is sourced from PubChem (CID 158219698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).