7-cyclopentyl-5-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine

C24H30N10 — CID 58016035

IUPAC7-cyclopentyl-5-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1nc(-c2c(C)c3cnc(Nc4ccc(N5CCNCC5)cn4)nc3n2C2CCCC2)n[nH]1
InChIInChI=1S/C24H30N10/c1-15-19-14-27-24(29-20-8-7-18(13-26-20)33-11-9-25-10-12-33)30-23(19)34(17-5-3-4-6-17)21(15)22-28-16(2)31-32-22/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,28,31,32)(H,26,27,29,30)
InChIKeyMROQNIAXTBHIBJ-UHFFFAOYSA-N
MW458.57 g/mol
LogP3.50
Rot. Bonds5

About 7-cyclopentyl-5-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine

7-cyclopentyl-5-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 58016035) has the molecular formula C24H30N10 and a molecular weight of 458.57 g/mol. Its IUPAC name is 7-cyclopentyl-5-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-cyclopentyl-5-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID58016035
Molecular FormulaC24H30N10
Molecular Weight458.57 g/mol
Exact Mass458.27
IUPAC Name7-cyclopentyl-5-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1nc(-c2c(C)c3cnc(Nc4ccc(N5CCNCC5)cn4)nc3n2C2CCCC2)n[nH]1
InChIInChI=1S/C24H30N10/c1-15-19-14-27-24(29-20-8-7-18(13-26-20)33-11-9-25-10-12-33)30-23(19)34(17-5-3-4-6-17)21(15)22-28-16(2)31-32-22/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,28,31,32)(H,26,27,29,30)
InChIKeyMROQNIAXTBHIBJ-UHFFFAOYSA-N
XLogP3.50
TPSA112.47 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 7-cyclopentyl-5-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

8-cyclopentyl-10-methyl-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58300068
acetic acid;6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 175123063
8-cyclohexyl-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299868
6-acetyl-8-cyclopentyl-5-methyl-2-[(5-pyrrolidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 10173482
6-acetyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-8-(2,2,5,5-tetradeuteriocyclopentyl)pyrido[2,3-d]pyrimidin-7-one
CID 86296420
8-(2,2-difluorocyclopentyl)-5-methyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carbaldehyde
CID 145063259
6-acetyl-8-cyclopentyl-2-[[5-[4-[(4-fluoropiperidin-4-yl)methyl]piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 176736901
8-cyclopentyl-10-fluoro-N-[5-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299808
6-acetyl-8-cyclopentyl-2-[[5-(2,9-diazaspiro[5.5]undecan-2-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 129276109
2-[4-[6-[(8-cyclopentyl-6-formyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]acetic acid
CID 178071399
3-cyclopentyl-4-methyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-one
CID 135286405
(E)-1-[7-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-6-yl]-2-methylbut-2-en-1-one
CID 163734758

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-5-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 7-cyclopentyl-5-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine (CID 58016035) is 7-cyclopentyl-5-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 7-cyclopentyl-5-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 7-cyclopentyl-5-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine is Cc1nc(-c2c(C)c3cnc(Nc4ccc(N5CCNCC5)cn4)nc3n2C2CCCC2)n[nH]1.
What is the InChIKey of 7-cyclopentyl-5-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is MROQNIAXTBHIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N10/c1-15-19-14-27-24(29-20-8-7-18(13-26-20)33-11-9-25-10-12-33)30-23(19)34(17-5-3-4-6-17)21(15)22-28-16(2)31-32-22/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,28,31,32)(H,26,27,29,30).
What are the key properties of 7-cyclopentyl-5-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine?
7-cyclopentyl-5-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 458.57 g/mol, XLogP of 3.50, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-5-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 58016035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).