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

C23H29N7O — CID 59225283

IUPACN-[3-[[5-cyclopropyl-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
SMILESCn1ncc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc21
InChIInChI=1S/C23H29N7O/c1-30-20-9-8-18(12-17(20)13-27-30)28-23-26-14-19(15-6-7-15)21(29-23)24-10-3-11-25-22(31)16-4-2-5-16/h8-9,12-16H,2-7,10-11H2,1H3,(H,25,31)(H2,24,26,28,29)
InChIKeyZWBYSALZHQDDEL-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.70
Rot. Bonds9

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

N-[3-[[5-cyclopropyl-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide (PubChem CID 59225283) has the molecular formula C23H29N7O and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[3-[[5-cyclopropyl-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[[5-cyclopropyl-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
PubChem CID59225283
Molecular FormulaC23H29N7O
Molecular Weight419.53 g/mol
Exact Mass419.24
IUPAC NameN-[3-[[5-cyclopropyl-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
SMILESCn1ncc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc21
InChIInChI=1S/C23H29N7O/c1-30-20-9-8-18(12-17(20)13-27-30)28-23-26-14-19(15-6-7-15)21(29-23)24-10-3-11-25-22(31)16-4-2-5-16/h8-9,12-16H,2-7,10-11H2,1H3,(H,25,31)(H2,24,26,28,29)
InChIKeyZWBYSALZHQDDEL-UHFFFAOYSA-N
XLogP3.70
TPSA96.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.70
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-[(1-methylindazol-5-yl)amino]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-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-[[5-cyclopropyl-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide (CID 59225283) is N-[3-[[5-cyclopropyl-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-[[5-cyclopropyl-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-[[5-cyclopropyl-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide is Cn1ncc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc21.
What is the InChIKey of N-[3-[[5-cyclopropyl-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide?
The InChIKey is ZWBYSALZHQDDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O/c1-30-20-9-8-18(12-17(20)13-27-30)28-23-26-14-19(15-6-7-15)21(29-23)24-10-3-11-25-22(31)16-4-2-5-16/h8-9,12-16H,2-7,10-11H2,1H3,(H,25,31)(H2,24,26,28,29).
What are the key properties of N-[3-[[5-cyclopropyl-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide?
N-[3-[[5-cyclopropyl-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.70, 9 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-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide is sourced from PubChem (CID 59225283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).