3-(6-cyclopropyl-1-phenylpyrrolo[2,3-b]pyridin-2-yl)pyridin-2-amine

C21H18N4 — CID 178147995

IUPAC3-(6-cyclopropyl-1-phenylpyrrolo[2,3-b]pyridin-2-yl)pyridin-2-amine
SMILESNc1ncccc1-c1cc2ccc(C3CC3)nc2n1-c1ccccc1
InChIInChI=1S/C21H18N4/c22-20-17(7-4-12-23-20)19-13-15-10-11-18(14-8-9-14)24-21(15)25(19)16-5-2-1-3-6-16/h1-7,10-14H,8-9H2,(H2,22,23)
InChIKeyNISMISYPARPAMN-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.55
Rot. Bonds3

About 3-(6-cyclopropyl-1-phenylpyrrolo[2,3-b]pyridin-2-yl)pyridin-2-amine

3-(6-cyclopropyl-1-phenylpyrrolo[2,3-b]pyridin-2-yl)pyridin-2-amine (PubChem CID 178147995) has the molecular formula C21H18N4 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-(6-cyclopropyl-1-phenylpyrrolo[2,3-b]pyridin-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(6-cyclopropyl-1-phenylpyrrolo[2,3-b]pyridin-2-yl)pyridin-2-amine
PubChem CID178147995
Molecular FormulaC21H18N4
Molecular Weight326.40 g/mol
Exact Mass326.15
IUPAC Name3-(6-cyclopropyl-1-phenylpyrrolo[2,3-b]pyridin-2-yl)pyridin-2-amine
SMILESNc1ncccc1-c1cc2ccc(C3CC3)nc2n1-c1ccccc1
InChIInChI=1S/C21H18N4/c22-20-17(7-4-12-23-20)19-13-15-10-11-18(14-8-9-14)24-21(15)25(19)16-5-2-1-3-6-16/h1-7,10-14H,8-9H2,(H2,22,23)
InChIKeyNISMISYPARPAMN-UHFFFAOYSA-N
XLogP4.55
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[3-[4-[2-(2-amino-3-pyridinyl)-6-cyclopropylpyrrolo[2,3-b]pyridin-1-yl]phenyl]pyrrolidine-1-carbonyl]piperazin-1-yl]prop-2-en-1-one
CID 178148026
[4-[2-(2-amino-3-pyridinyl)-5-(oxolan-3-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol;methane
CID 171495949
3-(2-amino-3-pyridinyl)pyridin-2-amine
CID 1236677
2-naphthalen-2-yl-1-phenylpyrrolo[2,3-b]pyridine
CID 139192071
3-[3-hydroxy-5-(oxetan-3-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 174277886
6-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-cyclopropylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-4-carbonitrile
CID 171494097
3-(2-aminophenyl)pyridin-2-amine
CID 130114605
1-[(9S)-9-[4-[2-(2-amino-3-pyridinyl)-5-cyclopropylimidazo[4,5-b]pyridin-3-yl]phenyl]-1,4,7-triazacycloundec-4-yl]prop-2-en-1-one;formaldehyde
CID 178147953
1-[4-[[(1R)-5-[2-(2-amino-3-pyridinyl)-5-cyclopropylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]piperazin-1-yl]prop-2-en-1-one
CID 176981698
3-[5-cyclohexyl-3-[4-[[4-(ethenylamino)piperidin-1-yl]methyl]phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane
CID 171563366
[4-[2-(2-amino-3-pyridinyl)-5-(5-cyclopropyl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171495649
4-(1-phenylazetidin-3-yl)pyrimidin-2-amine
CID 95841252

Frequently Asked Questions

What is the IUPAC name of 3-(6-cyclopropyl-1-phenylpyrrolo[2,3-b]pyridin-2-yl)pyridin-2-amine?
The IUPAC name of 3-(6-cyclopropyl-1-phenylpyrrolo[2,3-b]pyridin-2-yl)pyridin-2-amine (CID 178147995) is 3-(6-cyclopropyl-1-phenylpyrrolo[2,3-b]pyridin-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-(6-cyclopropyl-1-phenylpyrrolo[2,3-b]pyridin-2-yl)pyridin-2-amine?
The canonical SMILES for 3-(6-cyclopropyl-1-phenylpyrrolo[2,3-b]pyridin-2-yl)pyridin-2-amine is Nc1ncccc1-c1cc2ccc(C3CC3)nc2n1-c1ccccc1.
What is the InChIKey of 3-(6-cyclopropyl-1-phenylpyrrolo[2,3-b]pyridin-2-yl)pyridin-2-amine?
The InChIKey is NISMISYPARPAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4/c22-20-17(7-4-12-23-20)19-13-15-10-11-18(14-8-9-14)24-21(15)25(19)16-5-2-1-3-6-16/h1-7,10-14H,8-9H2,(H2,22,23).
What are the key properties of 3-(6-cyclopropyl-1-phenylpyrrolo[2,3-b]pyridin-2-yl)pyridin-2-amine?
3-(6-cyclopropyl-1-phenylpyrrolo[2,3-b]pyridin-2-yl)pyridin-2-amine has a molecular weight of 326.40 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-cyclopropyl-1-phenylpyrrolo[2,3-b]pyridin-2-yl)pyridin-2-amine is sourced from PubChem (CID 178147995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).