2-[[1-(1-acetylpiperidin-4-yl)indol-5-yl]amino]-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile

C28H29N7O2 — CID 155458409

IUPAC2-[[1-(1-acetylpiperidin-4-yl)indol-5-yl]amino]-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCC(=O)N1CCC(n2ccc3cc(Nc4ncc5cc(C#N)c(=O)n(C6CCCC6)c5n4)ccc32)CC1
InChIInChI=1S/C28H29N7O2/c1-18(36)33-11-9-23(10-12-33)34-13-8-19-15-22(6-7-25(19)34)31-28-30-17-21-14-20(16-29)27(37)35(26(21)32-28)24-4-2-3-5-24/h6-8,13-15,17,23-24H,2-5,9-12H2,1H3,(H,30,31,32)
InChIKeyHRNJWSDTUXWJGV-UHFFFAOYSA-N
MW495.59 g/mol
LogP4.66
Rot. Bonds4

About 2-[[1-(1-acetylpiperidin-4-yl)indol-5-yl]amino]-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile

2-[[1-(1-acetylpiperidin-4-yl)indol-5-yl]amino]-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 155458409) has the molecular formula C28H29N7O2 and a molecular weight of 495.59 g/mol. Its IUPAC name is 2-[[1-(1-acetylpiperidin-4-yl)indol-5-yl]amino]-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name2-[[1-(1-acetylpiperidin-4-yl)indol-5-yl]amino]-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID155458409
Molecular FormulaC28H29N7O2
Molecular Weight495.59 g/mol
Exact Mass495.24
IUPAC Name2-[[1-(1-acetylpiperidin-4-yl)indol-5-yl]amino]-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCC(=O)N1CCC(n2ccc3cc(Nc4ncc5cc(C#N)c(=O)n(C6CCCC6)c5n4)ccc32)CC1
InChIInChI=1S/C28H29N7O2/c1-18(36)33-11-9-23(10-12-33)34-13-8-19-15-22(6-7-25(19)34)31-28-30-17-21-14-20(16-29)27(37)35(26(21)32-28)24-4-2-3-5-24/h6-8,13-15,17,23-24H,2-5,9-12H2,1H3,(H,30,31,32)
InChIKeyHRNJWSDTUXWJGV-UHFFFAOYSA-N
XLogP4.66
TPSA108.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.59
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1-acetylpiperidin-4-yl)indol-5-yl]amino]-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 2-[[1-(1-acetylpiperidin-4-yl)indol-5-yl]amino]-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile (CID 155458409) is 2-[[1-(1-acetylpiperidin-4-yl)indol-5-yl]amino]-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 2-[[1-(1-acetylpiperidin-4-yl)indol-5-yl]amino]-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 2-[[1-(1-acetylpiperidin-4-yl)indol-5-yl]amino]-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile is CC(=O)N1CCC(n2ccc3cc(Nc4ncc5cc(C#N)c(=O)n(C6CCCC6)c5n4)ccc32)CC1.
What is the InChIKey of 2-[[1-(1-acetylpiperidin-4-yl)indol-5-yl]amino]-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is HRNJWSDTUXWJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O2/c1-18(36)33-11-9-23(10-12-33)34-13-8-19-15-22(6-7-25(19)34)31-28-30-17-21-14-20(16-29)27(37)35(26(21)32-28)24-4-2-3-5-24/h6-8,13-15,17,23-24H,2-5,9-12H2,1H3,(H,30,31,32).
What are the key properties of 2-[[1-(1-acetylpiperidin-4-yl)indol-5-yl]amino]-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
2-[[1-(1-acetylpiperidin-4-yl)indol-5-yl]amino]-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 495.59 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1-acetylpiperidin-4-yl)indol-5-yl]amino]-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 155458409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).