7-[2-[(1R)-3-(4-aminopyrrolo[3,2-c]pyridin-1-yl)-1-methylcyclopentyl]ethyl]quinolin-2-amine

C24H27N5 — CID 155705389

IUPAC7-[2-[(1R)-3-(4-aminopyrrolo[3,2-c]pyridin-1-yl)-1-methylcyclopentyl]ethyl]quinolin-2-amine
SMILESC[C@@]1(CCc2ccc3ccc(N)nc3c2)CCC(n2ccc3c(N)nccc32)C1
InChIInChI=1S/C24H27N5/c1-24(10-6-16-2-3-17-4-5-22(25)28-20(17)14-16)11-7-18(15-24)29-13-9-19-21(29)8-12-27-23(19)26/h2-5,8-9,12-14,18H,6-7,10-11,15H2,1H3,(H2,25,28)(H2,26,27)/t18?,24-/m1/s1
InChIKeyXBYGYZZKCXKDBB-VCUSLETLSA-N
MW385.52 g/mol
LogP5.11
Rot. Bonds4

About 7-[2-[(1R)-3-(4-aminopyrrolo[3,2-c]pyridin-1-yl)-1-methylcyclopentyl]ethyl]quinolin-2-amine

7-[2-[(1R)-3-(4-aminopyrrolo[3,2-c]pyridin-1-yl)-1-methylcyclopentyl]ethyl]quinolin-2-amine (PubChem CID 155705389) has the molecular formula C24H27N5 and a molecular weight of 385.52 g/mol. Its IUPAC name is 7-[2-[(1R)-3-(4-aminopyrrolo[3,2-c]pyridin-1-yl)-1-methylcyclopentyl]ethyl]quinolin-2-amine.

Molecular Properties

Compound Name7-[2-[(1R)-3-(4-aminopyrrolo[3,2-c]pyridin-1-yl)-1-methylcyclopentyl]ethyl]quinolin-2-amine
PubChem CID155705389
Molecular FormulaC24H27N5
Molecular Weight385.52 g/mol
Exact Mass385.23
IUPAC Name7-[2-[(1R)-3-(4-aminopyrrolo[3,2-c]pyridin-1-yl)-1-methylcyclopentyl]ethyl]quinolin-2-amine
SMILESC[C@@]1(CCc2ccc3ccc(N)nc3c2)CCC(n2ccc3c(N)nccc32)C1
InChIInChI=1S/C24H27N5/c1-24(10-6-16-2-3-17-4-5-22(25)28-20(17)14-16)11-7-18(15-24)29-13-9-19-21(29)8-12-27-23(19)26/h2-5,8-9,12-14,18H,6-7,10-11,15H2,1H3,(H2,25,28)(H2,26,27)/t18?,24-/m1/s1
InChIKeyXBYGYZZKCXKDBB-VCUSLETLSA-N
XLogP5.11
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.52
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[(1R)-3-(4-aminopyrrolo[3,2-c]pyridin-1-yl)-1-methylcyclopentyl]ethyl]quinolin-2-amine?
The IUPAC name of 7-[2-[(1R)-3-(4-aminopyrrolo[3,2-c]pyridin-1-yl)-1-methylcyclopentyl]ethyl]quinolin-2-amine (CID 155705389) is 7-[2-[(1R)-3-(4-aminopyrrolo[3,2-c]pyridin-1-yl)-1-methylcyclopentyl]ethyl]quinolin-2-amine.
What is the SMILES notation for 7-[2-[(1R)-3-(4-aminopyrrolo[3,2-c]pyridin-1-yl)-1-methylcyclopentyl]ethyl]quinolin-2-amine?
The canonical SMILES for 7-[2-[(1R)-3-(4-aminopyrrolo[3,2-c]pyridin-1-yl)-1-methylcyclopentyl]ethyl]quinolin-2-amine is C[C@@]1(CCc2ccc3ccc(N)nc3c2)CCC(n2ccc3c(N)nccc32)C1.
What is the InChIKey of 7-[2-[(1R)-3-(4-aminopyrrolo[3,2-c]pyridin-1-yl)-1-methylcyclopentyl]ethyl]quinolin-2-amine?
The InChIKey is XBYGYZZKCXKDBB-VCUSLETLSA-N. The full InChI is InChI=1S/C24H27N5/c1-24(10-6-16-2-3-17-4-5-22(25)28-20(17)14-16)11-7-18(15-24)29-13-9-19-21(29)8-12-27-23(19)26/h2-5,8-9,12-14,18H,6-7,10-11,15H2,1H3,(H2,25,28)(H2,26,27)/t18?,24-/m1/s1.
What are the key properties of 7-[2-[(1R)-3-(4-aminopyrrolo[3,2-c]pyridin-1-yl)-1-methylcyclopentyl]ethyl]quinolin-2-amine?
7-[2-[(1R)-3-(4-aminopyrrolo[3,2-c]pyridin-1-yl)-1-methylcyclopentyl]ethyl]quinolin-2-amine has a molecular weight of 385.52 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(1R)-3-(4-aminopyrrolo[3,2-c]pyridin-1-yl)-1-methylcyclopentyl]ethyl]quinolin-2-amine is sourced from PubChem (CID 155705389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).