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

C26H27N7O — CID 155458553

IUPAC2-[[1-[2-(1-aminocyclopropyl)ethyl]indol-5-yl]amino]-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESN#Cc1cc2cnc(Nc3ccc4c(ccn4CCC4(N)CC4)c3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C26H27N7O/c27-15-18-13-19-16-29-25(31-23(19)33(24(18)34)21-3-1-2-4-21)30-20-5-6-22-17(14-20)7-11-32(22)12-10-26(28)8-9-26/h5-7,11,13-14,16,21H,1-4,8-10,12,28H2,(H,29,30,31)
InChIKeyHNVFTVLIDFIPQX-UHFFFAOYSA-N
MW453.55 g/mol
LogP4.36
Rot. Bonds6

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

2-[[1-[2-(1-aminocyclopropyl)ethyl]indol-5-yl]amino]-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 155458553) has the molecular formula C26H27N7O and a molecular weight of 453.55 g/mol. Its IUPAC name is 2-[[1-[2-(1-aminocyclopropyl)ethyl]indol-5-yl]amino]-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name2-[[1-[2-(1-aminocyclopropyl)ethyl]indol-5-yl]amino]-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID155458553
Molecular FormulaC26H27N7O
Molecular Weight453.55 g/mol
Exact Mass453.23
IUPAC Name2-[[1-[2-(1-aminocyclopropyl)ethyl]indol-5-yl]amino]-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESN#Cc1cc2cnc(Nc3ccc4c(ccn4CCC4(N)CC4)c3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C26H27N7O/c27-15-18-13-19-16-29-25(31-23(19)33(24(18)34)21-3-1-2-4-21)30-20-5-6-22-17(14-20)7-11-32(22)12-10-26(28)8-9-26/h5-7,11,13-14,16,21H,1-4,8-10,12,28H2,(H,29,30,31)
InChIKeyHNVFTVLIDFIPQX-UHFFFAOYSA-N
XLogP4.36
TPSA114.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[1-[2-(1-aminocyclopropyl)ethyl]indol-5-yl]amino]-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

2-[[1-(1-acetylpiperidin-4-yl)indol-5-yl]amino]-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458409
8-cyclopentyl-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458377
8-cyclopentyl-2-[[2-(1-methylpiperidin-4-yl)-1-benzothiophen-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458828
8-cyclopentyl-7-oxo-2-[(2-oxo-1-piperidin-4-yl-4-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458454
8-cyclopentyl-7-oxo-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile;molecular hydrogen
CID 155572426
8-cyclopentyl-2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458581
8-cyclopentyl-7-oxo-2-[(2-piperidin-4-yl-1-benzofuran-5-yl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458829
8-cyclopentyl-2-[[5-[2-(dimethylamino)ethyl]naphthalen-2-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458554
8-cyclopentyl-7-oxo-2-[(1-oxo-2,3,4,5-tetrahydro-2-benzazepin-8-yl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458658
8-cyclopentyl-7-oxo-2-[(1-oxo-3-piperazin-1-yl-2H-isoquinolin-6-yl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458784
8-cyclopentyl-7-oxo-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458571
8-cyclopentyl-2-[[3-(1-methylpiperidin-4-yl)-1-benzofuran-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458853

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-(1-aminocyclopropyl)ethyl]indol-5-yl]amino]-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 2-[[1-[2-(1-aminocyclopropyl)ethyl]indol-5-yl]amino]-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile (CID 155458553) is 2-[[1-[2-(1-aminocyclopropyl)ethyl]indol-5-yl]amino]-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 2-[[1-[2-(1-aminocyclopropyl)ethyl]indol-5-yl]amino]-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 2-[[1-[2-(1-aminocyclopropyl)ethyl]indol-5-yl]amino]-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile is N#Cc1cc2cnc(Nc3ccc4c(ccn4CCC4(N)CC4)c3)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 2-[[1-[2-(1-aminocyclopropyl)ethyl]indol-5-yl]amino]-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is HNVFTVLIDFIPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O/c27-15-18-13-19-16-29-25(31-23(19)33(24(18)34)21-3-1-2-4-21)30-20-5-6-22-17(14-20)7-11-32(22)12-10-26(28)8-9-26/h5-7,11,13-14,16,21H,1-4,8-10,12,28H2,(H,29,30,31).
What are the key properties of 2-[[1-[2-(1-aminocyclopropyl)ethyl]indol-5-yl]amino]-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
2-[[1-[2-(1-aminocyclopropyl)ethyl]indol-5-yl]amino]-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 453.55 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-(1-aminocyclopropyl)ethyl]indol-5-yl]amino]-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 155458553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).