N-[3-[[5-cyclopropyl-2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide

C27H37N7O2 — CID 59225411

IUPACN-[3-[[5-cyclopropyl-2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
SMILESCN1CCN(C(=O)c2ccc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)cc2)CC1
InChIInChI=1S/C27H37N7O2/c1-33-14-16-34(17-15-33)26(36)21-8-10-22(11-9-21)31-27-30-18-23(19-6-7-19)24(32-27)28-12-3-13-29-25(35)20-4-2-5-20/h8-11,18-20H,2-7,12-17H2,1H3,(H,29,35)(H2,28,30,31,32)
InChIKeyIKRDKGDJCNVTCF-UHFFFAOYSA-N
MW491.64 g/mol
LogP3.20
Rot. Bonds10

About N-[3-[[5-cyclopropyl-2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide

N-[3-[[5-cyclopropyl-2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide (PubChem CID 59225411) has the molecular formula C27H37N7O2 and a molecular weight of 491.64 g/mol. Its IUPAC name is N-[3-[[5-cyclopropyl-2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[[5-cyclopropyl-2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
PubChem CID59225411
Molecular FormulaC27H37N7O2
Molecular Weight491.64 g/mol
Exact Mass491.30
IUPAC NameN-[3-[[5-cyclopropyl-2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
SMILESCN1CCN(C(=O)c2ccc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)cc2)CC1
InChIInChI=1S/C27H37N7O2/c1-33-14-16-34(17-15-33)26(36)21-8-10-22(11-9-21)31-27-30-18-23(19-6-7-19)24(32-27)28-12-3-13-29-25(35)20-4-2-5-20/h8-11,18-20H,2-7,12-17H2,1H3,(H,29,35)(H2,28,30,31,32)
InChIKeyIKRDKGDJCNVTCF-UHFFFAOYSA-N
XLogP3.20
TPSA102.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.64
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[[5-cyclopropyl-2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-cyclopropyl-2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-[[5-cyclopropyl-2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide (CID 59225411) is N-[3-[[5-cyclopropyl-2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-[[5-cyclopropyl-2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-[[5-cyclopropyl-2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide is CN1CCN(C(=O)c2ccc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)cc2)CC1.
What is the InChIKey of N-[3-[[5-cyclopropyl-2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide?
The InChIKey is IKRDKGDJCNVTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N7O2/c1-33-14-16-34(17-15-33)26(36)21-8-10-22(11-9-21)31-27-30-18-23(19-6-7-19)24(32-27)28-12-3-13-29-25(35)20-4-2-5-20/h8-11,18-20H,2-7,12-17H2,1H3,(H,29,35)(H2,28,30,31,32).
What are the key properties of N-[3-[[5-cyclopropyl-2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide?
N-[3-[[5-cyclopropyl-2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide has a molecular weight of 491.64 g/mol, XLogP of 3.20, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-cyclopropyl-2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide is sourced from PubChem (CID 59225411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).