5-[[4-[4-[(1-aminocyclopropyl)methylamino]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide

C22H26N10O — CID 162649634

IUPAC5-[[4-[4-[(1-aminocyclopropyl)methylamino]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide
SMILESCNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(NCC5(N)CC5)c(C)n4)n3)cc12
InChIInChI=1S/C22H26N10O/c1-13-16(26-12-22(23)7-8-22)11-32(29-13)18-6-9-25-21(28-18)27-14-4-5-17-15(10-14)19(20(33)24-2)30-31(17)3/h4-6,9-11,26H,7-8,12,23H2,1-3H3,(H,24,33)(H,25,27,28)
InChIKeyACAIBIBNIFXKCV-UHFFFAOYSA-N
MW446.52 g/mol
LogP1.86
Rot. Bonds7

About 5-[[4-[4-[(1-aminocyclopropyl)methylamino]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide

5-[[4-[4-[(1-aminocyclopropyl)methylamino]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide (PubChem CID 162649634) has the molecular formula C22H26N10O and a molecular weight of 446.52 g/mol. Its IUPAC name is 5-[[4-[4-[(1-aminocyclopropyl)methylamino]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide.

Molecular Properties

Compound Name5-[[4-[4-[(1-aminocyclopropyl)methylamino]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide
PubChem CID162649634
Molecular FormulaC22H26N10O
Molecular Weight446.52 g/mol
Exact Mass446.23
IUPAC Name5-[[4-[4-[(1-aminocyclopropyl)methylamino]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide
SMILESCNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(NCC5(N)CC5)c(C)n4)n3)cc12
InChIInChI=1S/C22H26N10O/c1-13-16(26-12-22(23)7-8-22)11-32(29-13)18-6-9-25-21(28-18)27-14-4-5-17-15(10-14)19(20(33)24-2)30-31(17)3/h4-6,9-11,26H,7-8,12,23H2,1-3H3,(H,24,33)(H,25,27,28)
InChIKeyACAIBIBNIFXKCV-UHFFFAOYSA-N
XLogP1.86
TPSA140.60 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 5-[[4-[4-[(1-aminocyclopropyl)methylamino]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-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

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[4-[(1-aminocyclopropyl)methylamino]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide?
The IUPAC name of 5-[[4-[4-[(1-aminocyclopropyl)methylamino]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide (CID 162649634) is 5-[[4-[4-[(1-aminocyclopropyl)methylamino]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide.
What is the SMILES notation for 5-[[4-[4-[(1-aminocyclopropyl)methylamino]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide?
The canonical SMILES for 5-[[4-[4-[(1-aminocyclopropyl)methylamino]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide is CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(NCC5(N)CC5)c(C)n4)n3)cc12.
What is the InChIKey of 5-[[4-[4-[(1-aminocyclopropyl)methylamino]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide?
The InChIKey is ACAIBIBNIFXKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N10O/c1-13-16(26-12-22(23)7-8-22)11-32(29-13)18-6-9-25-21(28-18)27-14-4-5-17-15(10-14)19(20(33)24-2)30-31(17)3/h4-6,9-11,26H,7-8,12,23H2,1-3H3,(H,24,33)(H,25,27,28).
What are the key properties of 5-[[4-[4-[(1-aminocyclopropyl)methylamino]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide?
5-[[4-[4-[(1-aminocyclopropyl)methylamino]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide has a molecular weight of 446.52 g/mol, XLogP of 1.86, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[4-[(1-aminocyclopropyl)methylamino]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide is sourced from PubChem (CID 162649634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).