(1-phenylcyclopropyl)-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone

C21H21N3O — CID 42603038

IUPAC(1-phenylcyclopropyl)-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CCC(c2c[nH]c3ncccc23)C1)C1(c2ccccc2)CC1
InChIInChI=1S/C21H21N3O/c25-20(21(9-10-21)16-5-2-1-3-6-16)24-12-8-15(14-24)18-13-23-19-17(18)7-4-11-22-19/h1-7,11,13,15H,8-10,12,14H2,(H,22,23)
InChIKeyKONDYSYBNMOPRN-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.61
Rot. Bonds3

About (1-phenylcyclopropyl)-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone

(1-phenylcyclopropyl)-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 42603038) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is (1-phenylcyclopropyl)-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-phenylcyclopropyl)-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
PubChem CID42603038
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name(1-phenylcyclopropyl)-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CCC(c2c[nH]c3ncccc23)C1)C1(c2ccccc2)CC1
InChIInChI=1S/C21H21N3O/c25-20(21(9-10-21)16-5-2-1-3-6-16)24-12-8-15(14-24)18-13-23-19-17(18)7-4-11-22-19/h1-7,11,13,15H,8-10,12,14H2,(H,22,23)
InChIKeyKONDYSYBNMOPRN-UHFFFAOYSA-N
XLogP3.61
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-phenylcyclopropyl)-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-phenylcyclopropyl)-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone (CID 42603038) is (1-phenylcyclopropyl)-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-phenylcyclopropyl)-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-phenylcyclopropyl)-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone is O=C(N1CCC(c2c[nH]c3ncccc23)C1)C1(c2ccccc2)CC1.
What is the InChIKey of (1-phenylcyclopropyl)-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is KONDYSYBNMOPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c25-20(21(9-10-21)16-5-2-1-3-6-16)24-12-8-15(14-24)18-13-23-19-17(18)7-4-11-22-19/h1-7,11,13,15H,8-10,12,14H2,(H,22,23).
What are the key properties of (1-phenylcyclopropyl)-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone?
(1-phenylcyclopropyl)-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 331.42 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylcyclopropyl)-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 42603038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).