N-[6-[(1,6-dimethylindazol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide

C17H18N6O — CID 167686376

IUPACN-[6-[(1,6-dimethylindazol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
SMILESCc1cc2c(cnn2C)cc1Nc1cc(NC(=O)C2CC2)ncn1
InChIInChI=1S/C17H18N6O/c1-10-5-14-12(8-20-23(14)2)6-13(10)21-15-7-16(19-9-18-15)22-17(24)11-3-4-11/h5-9,11H,3-4H2,1-2H3,(H2,18,19,21,22,24)
InChIKeyHFEPSCZMLAODRT-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.76
Rot. Bonds4

About N-[6-[(1,6-dimethylindazol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide

N-[6-[(1,6-dimethylindazol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide (PubChem CID 167686376) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[6-[(1,6-dimethylindazol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[(1,6-dimethylindazol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
PubChem CID167686376
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC NameN-[6-[(1,6-dimethylindazol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
SMILESCc1cc2c(cnn2C)cc1Nc1cc(NC(=O)C2CC2)ncn1
InChIInChI=1S/C17H18N6O/c1-10-5-14-12(8-20-23(14)2)6-13(10)21-15-7-16(19-9-18-15)22-17(24)11-3-4-11/h5-9,11H,3-4H2,1-2H3,(H2,18,19,21,22,24)
InChIKeyHFEPSCZMLAODRT-UHFFFAOYSA-N
XLogP2.76
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[6-[(1,6-dimethylindazol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide 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-[6-[(1,6-dimethylindazol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[(1,6-dimethylindazol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide (CID 167686376) is N-[6-[(1,6-dimethylindazol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[(1,6-dimethylindazol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[(1,6-dimethylindazol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide is Cc1cc2c(cnn2C)cc1Nc1cc(NC(=O)C2CC2)ncn1.
What is the InChIKey of N-[6-[(1,6-dimethylindazol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide?
The InChIKey is HFEPSCZMLAODRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-10-5-14-12(8-20-23(14)2)6-13(10)21-15-7-16(19-9-18-15)22-17(24)11-3-4-11/h5-9,11H,3-4H2,1-2H3,(H2,18,19,21,22,24).
What are the key properties of N-[6-[(1,6-dimethylindazol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide?
N-[6-[(1,6-dimethylindazol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(1,6-dimethylindazol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 167686376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).