1-[10-[5-chloro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,4,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-4-yl]ethanone

C24H24ClN9O — CID 171660145

IUPAC1-[10-[5-chloro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,4,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-4-yl]ethanone
SMILESCC(=O)N1Cc2ccc3c(-c4nc(Nc5ccc(N6CCNCC6)cn5)ncc4Cl)cnn3c2C1
InChIInChI=1S/C24H24ClN9O/c1-15(35)33-13-16-2-4-20-18(11-29-34(20)21(16)14-33)23-19(25)12-28-24(31-23)30-22-5-3-17(10-27-22)32-8-6-26-7-9-32/h2-5,10-12,26H,6-9,13-14H2,1H3,(H,27,28,30,31)
InChIKeyYEQFLDLHSSLHKL-UHFFFAOYSA-N
MW489.97 g/mol
LogP2.86
Rot. Bonds4

About 1-[10-[5-chloro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,4,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-4-yl]ethanone

1-[10-[5-chloro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,4,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-4-yl]ethanone (PubChem CID 171660145) has the molecular formula C24H24ClN9O and a molecular weight of 489.97 g/mol. Its IUPAC name is 1-[10-[5-chloro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,4,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-4-yl]ethanone.

Molecular Properties

Compound Name1-[10-[5-chloro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,4,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-4-yl]ethanone
PubChem CID171660145
Molecular FormulaC24H24ClN9O
Molecular Weight489.97 g/mol
Exact Mass489.18
IUPAC Name1-[10-[5-chloro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,4,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-4-yl]ethanone
SMILESCC(=O)N1Cc2ccc3c(-c4nc(Nc5ccc(N6CCNCC6)cn5)ncc4Cl)cnn3c2C1
InChIInChI=1S/C24H24ClN9O/c1-15(35)33-13-16-2-4-20-18(11-29-34(20)21(16)14-33)23-19(25)12-28-24(31-23)30-22-5-3-17(10-27-22)32-8-6-26-7-9-32/h2-5,10-12,26H,6-9,13-14H2,1H3,(H,27,28,30,31)
InChIKeyYEQFLDLHSSLHKL-UHFFFAOYSA-N
XLogP2.86
TPSA103.58 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.97
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[10-[5-chloro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,4,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-4-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

5-bromo-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine
CID 68899926
1-[4-[6-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethanone
CID 155470839
1-[8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-7H-pyrido[2,3-d]pyrimidin-6-yl]ethanone
CID 130378536
6-acetyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-6H-pyrido[2,3-d]pyrimidin-7-one
CID 138059460
6-fluoro-8-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]quinolin-5-one
CID 166121128
3,4-dichloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494091
2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
CID 119494622
4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbaldehyde
CID 10067549
[4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanol
CID 10248532
7-pentan-3-yl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 58015776
4-amino-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile
CID 10063148
1-[4-[6-[(5,5-dimethyl-6-methylidene-7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethanone
CID 58015858

Frequently Asked Questions

What is the IUPAC name of 1-[10-[5-chloro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,4,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-4-yl]ethanone?
The IUPAC name of 1-[10-[5-chloro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,4,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-4-yl]ethanone (CID 171660145) is 1-[10-[5-chloro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,4,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-4-yl]ethanone.
What is the SMILES notation for 1-[10-[5-chloro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,4,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-4-yl]ethanone?
The canonical SMILES for 1-[10-[5-chloro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,4,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-4-yl]ethanone is CC(=O)N1Cc2ccc3c(-c4nc(Nc5ccc(N6CCNCC6)cn5)ncc4Cl)cnn3c2C1.
What is the InChIKey of 1-[10-[5-chloro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,4,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-4-yl]ethanone?
The InChIKey is YEQFLDLHSSLHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN9O/c1-15(35)33-13-16-2-4-20-18(11-29-34(20)21(16)14-33)23-19(25)12-28-24(31-23)30-22-5-3-17(10-27-22)32-8-6-26-7-9-32/h2-5,10-12,26H,6-9,13-14H2,1H3,(H,27,28,30,31).
What are the key properties of 1-[10-[5-chloro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,4,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-4-yl]ethanone?
1-[10-[5-chloro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,4,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-4-yl]ethanone has a molecular weight of 489.97 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-[5-chloro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,4,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-4-yl]ethanone is sourced from PubChem (CID 171660145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).