4-ethyl-6-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine

C23H27N7 — CID 58425531

IUPAC4-ethyl-6-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine
SMILESCCc1cc(C2=CCc3ncc(-c4cnn(CCN5CCCC5)c4)cc32)nc(N)n1
InChIInChI=1S/C23H27N7/c1-2-18-12-22(28-23(24)27-18)19-5-6-21-20(19)11-16(13-25-21)17-14-26-30(15-17)10-9-29-7-3-4-8-29/h5,11-15H,2-4,6-10H2,1H3,(H2,24,27,28)
InChIKeyPODLJDHYFZAAHY-UHFFFAOYSA-N
MW401.52 g/mol
LogP2.96
Rot. Bonds6

About 4-ethyl-6-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine

4-ethyl-6-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine (PubChem CID 58425531) has the molecular formula C23H27N7 and a molecular weight of 401.52 g/mol. Its IUPAC name is 4-ethyl-6-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethyl-6-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine
PubChem CID58425531
Molecular FormulaC23H27N7
Molecular Weight401.52 g/mol
Exact Mass401.23
IUPAC Name4-ethyl-6-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine
SMILESCCc1cc(C2=CCc3ncc(-c4cnn(CCN5CCCC5)c4)cc32)nc(N)n1
InChIInChI=1S/C23H27N7/c1-2-18-12-22(28-23(24)27-18)19-5-6-21-20(19)11-16(13-25-21)17-14-26-30(15-17)10-9-29-7-3-4-8-29/h5,11-15H,2-4,6-10H2,1H3,(H2,24,27,28)
InChIKeyPODLJDHYFZAAHY-UHFFFAOYSA-N
XLogP2.96
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.52
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine?
The IUPAC name of 4-ethyl-6-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine (CID 58425531) is 4-ethyl-6-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-ethyl-6-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine?
The canonical SMILES for 4-ethyl-6-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine is CCc1cc(C2=CCc3ncc(-c4cnn(CCN5CCCC5)c4)cc32)nc(N)n1.
What is the InChIKey of 4-ethyl-6-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine?
The InChIKey is PODLJDHYFZAAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7/c1-2-18-12-22(28-23(24)27-18)19-5-6-21-20(19)11-16(13-25-21)17-14-26-30(15-17)10-9-29-7-3-4-8-29/h5,11-15H,2-4,6-10H2,1H3,(H2,24,27,28).
What are the key properties of 4-ethyl-6-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine?
4-ethyl-6-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine has a molecular weight of 401.52 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 58425531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).