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

C21H22N4O — CID 70684625

IUPAC[3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]-(1-pyridin-2-ylcyclopropyl)methanone
SMILESCc1[nH]c2ncccc2c1C1CCN(C(=O)C2(c3ccccn3)CC2)C1
InChIInChI=1S/C21H22N4O/c1-14-18(16-5-4-11-23-19(16)24-14)15-7-12-25(13-15)20(26)21(8-9-21)17-6-2-3-10-22-17/h2-6,10-11,15H,7-9,12-13H2,1H3,(H,23,24)
InChIKeyHUWRMRPEILCPLL-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.31
Rot. Bonds3

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

[3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]-(1-pyridin-2-ylcyclopropyl)methanone (PubChem CID 70684625) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is [3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]-(1-pyridin-2-ylcyclopropyl)methanone.

Molecular Properties

Compound Name[3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]-(1-pyridin-2-ylcyclopropyl)methanone
PubChem CID70684625
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name[3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]-(1-pyridin-2-ylcyclopropyl)methanone
SMILESCc1[nH]c2ncccc2c1C1CCN(C(=O)C2(c3ccccn3)CC2)C1
InChIInChI=1S/C21H22N4O/c1-14-18(16-5-4-11-23-19(16)24-14)15-7-12-25(13-15)20(26)21(8-9-21)17-6-2-3-10-22-17/h2-6,10-11,15H,7-9,12-13H2,1H3,(H,23,24)
InChIKeyHUWRMRPEILCPLL-UHFFFAOYSA-N
XLogP3.31
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]-(1-pyridin-2-ylcyclopropyl)methanone?
The IUPAC name of [3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]-(1-pyridin-2-ylcyclopropyl)methanone (CID 70684625) is [3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]-(1-pyridin-2-ylcyclopropyl)methanone.
What is the SMILES notation for [3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]-(1-pyridin-2-ylcyclopropyl)methanone?
The canonical SMILES for [3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]-(1-pyridin-2-ylcyclopropyl)methanone is Cc1[nH]c2ncccc2c1C1CCN(C(=O)C2(c3ccccn3)CC2)C1.
What is the InChIKey of [3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]-(1-pyridin-2-ylcyclopropyl)methanone?
The InChIKey is HUWRMRPEILCPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-14-18(16-5-4-11-23-19(16)24-14)15-7-12-25(13-15)20(26)21(8-9-21)17-6-2-3-10-22-17/h2-6,10-11,15H,7-9,12-13H2,1H3,(H,23,24).
What are the key properties of [3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]-(1-pyridin-2-ylcyclopropyl)methanone?
[3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]-(1-pyridin-2-ylcyclopropyl)methanone has a molecular weight of 346.43 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]-(1-pyridin-2-ylcyclopropyl)methanone is sourced from PubChem (CID 70684625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).