N-cyclopropyl-1-[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]pyrrole-3-carboxamide

C24H29N7O — CID 153465771

IUPACN-cyclopropyl-1-[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]pyrrole-3-carboxamide
SMILESCc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1-n1ccc(C(=O)NC2CC2)c1
InChIInChI=1S/C24H29N7O/c1-17-15-25-24(27-20-5-7-21(8-6-20)30-13-11-29(2)12-14-30)28-22(17)31-10-9-18(16-31)23(32)26-19-3-4-19/h5-10,15-16,19H,3-4,11-14H2,1-2H3,(H,26,32)(H,25,27,28)
InChIKeyCOFJATZCNLFZLF-UHFFFAOYSA-N
MW431.54 g/mol
LogP2.96
Rot. Bonds6

About N-cyclopropyl-1-[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]pyrrole-3-carboxamide

N-cyclopropyl-1-[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]pyrrole-3-carboxamide (PubChem CID 153465771) has the molecular formula C24H29N7O and a molecular weight of 431.54 g/mol. Its IUPAC name is N-cyclopropyl-1-[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]pyrrole-3-carboxamide
PubChem CID153465771
Molecular FormulaC24H29N7O
Molecular Weight431.54 g/mol
Exact Mass431.24
IUPAC NameN-cyclopropyl-1-[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]pyrrole-3-carboxamide
SMILESCc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1-n1ccc(C(=O)NC2CC2)c1
InChIInChI=1S/C24H29N7O/c1-17-15-25-24(27-20-5-7-21(8-6-20)30-13-11-29(2)12-14-30)28-22(17)31-10-9-18(16-31)23(32)26-19-3-4-19/h5-10,15-16,19H,3-4,11-14H2,1-2H3,(H,26,32)(H,25,27,28)
InChIKeyCOFJATZCNLFZLF-UHFFFAOYSA-N
XLogP2.96
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-cyclopropyl-1-[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]pyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
2-(4-(6-((3R,5S)-3,5-dimethylpiperazin-1-yl)-4-methylpyridin-3-yl)phenyl)-7-methyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135905416
2-[(3S)-3-aminopiperidin-1-yl]-4-[[2,6-di(propan-2-yl)-4-pyridinyl]amino]pyrimidine-5-carboxamide
CID 145946080
Narazaciclib
CID 56649281
N-[4-acetamido-2-(methylcarbamoyl)phenyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 70649587
Prostaglandin D synthase (hematopoietic-type) inhibitor F092
CID 134812607
Dipyridodiazepinone deriv. 21
CID 463148
8-Ethyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330223
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 64
CID 5330250
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 65
CID 5330251
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 66
CID 5330252
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 68
CID 5330254

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]pyrrole-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]pyrrole-3-carboxamide (CID 153465771) is N-cyclopropyl-1-[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]pyrrole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]pyrrole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]pyrrole-3-carboxamide is Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1-n1ccc(C(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-1-[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]pyrrole-3-carboxamide?
The InChIKey is COFJATZCNLFZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O/c1-17-15-25-24(27-20-5-7-21(8-6-20)30-13-11-29(2)12-14-30)28-22(17)31-10-9-18(16-31)23(32)26-19-3-4-19/h5-10,15-16,19H,3-4,11-14H2,1-2H3,(H,26,32)(H,25,27,28).
What are the key properties of N-cyclopropyl-1-[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]pyrrole-3-carboxamide?
N-cyclopropyl-1-[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]pyrrole-3-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]pyrrole-3-carboxamide is sourced from PubChem (CID 153465771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).