2-(methylaminomethyl)-N-(1-propan-2-ylindazol-5-yl)pyrimidine-5-carboxamide

C17H20N6O — CID 166303240

IUPAC2-(methylaminomethyl)-N-(1-propan-2-ylindazol-5-yl)pyrimidine-5-carboxamide
SMILESCNCc1ncc(C(=O)Nc2ccc3c(cnn3C(C)C)c2)cn1
InChIInChI=1S/C17H20N6O/c1-11(2)23-15-5-4-14(6-12(15)9-21-23)22-17(24)13-7-19-16(10-18-3)20-8-13/h4-9,11,18H,10H2,1-3H3,(H,22,24)
InChIKeyZBEHPSUIEYSYMD-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.38
Rot. Bonds5

About 2-(methylaminomethyl)-N-(1-propan-2-ylindazol-5-yl)pyrimidine-5-carboxamide

2-(methylaminomethyl)-N-(1-propan-2-ylindazol-5-yl)pyrimidine-5-carboxamide (PubChem CID 166303240) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 2-(methylaminomethyl)-N-(1-propan-2-ylindazol-5-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(methylaminomethyl)-N-(1-propan-2-ylindazol-5-yl)pyrimidine-5-carboxamide
PubChem CID166303240
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name2-(methylaminomethyl)-N-(1-propan-2-ylindazol-5-yl)pyrimidine-5-carboxamide
SMILESCNCc1ncc(C(=O)Nc2ccc3c(cnn3C(C)C)c2)cn1
InChIInChI=1S/C17H20N6O/c1-11(2)23-15-5-4-14(6-12(15)9-21-23)22-17(24)13-7-19-16(10-18-3)20-8-13/h4-9,11,18H,10H2,1-3H3,(H,22,24)
InChIKeyZBEHPSUIEYSYMD-UHFFFAOYSA-N
XLogP2.38
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-(1-propan-2-ylindazol-5-yl)acetamide
CID 166404074
N-methyl-1-propan-2-ylindazol-5-amine
CID 89371360
2-cyclopropyl-N-(1-methylindazol-5-yl)pyrimidine-5-carboxamide
CID 167977178
N-(3-cyanophenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 42160130
N-[4-(4-ethylpiperazin-1-yl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 17495429
N-[3-(diethylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 33225377
2-methyl-3-[4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]phenyl]propanoic acid
CID 120541413
N-(3-benzyl-4-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24586217
N-(2-methyl-1,3-benzoxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 17462153
2-(2-aminoethyl)-N-(1-propan-2-ylindazol-6-yl)-1,3-thiazole-4-carboxamide
CID 120626736
1-(2-cyanobenzoyl)-N-(1-propan-2-ylindazol-5-yl)piperidine-4-carboxamide
CID 70644372
N-[2-(methylamino)propyl]-1-propan-2-ylindazole-5-sulfonamide
CID 120824862

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-N-(1-propan-2-ylindazol-5-yl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(methylaminomethyl)-N-(1-propan-2-ylindazol-5-yl)pyrimidine-5-carboxamide (CID 166303240) is 2-(methylaminomethyl)-N-(1-propan-2-ylindazol-5-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(methylaminomethyl)-N-(1-propan-2-ylindazol-5-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(methylaminomethyl)-N-(1-propan-2-ylindazol-5-yl)pyrimidine-5-carboxamide is CNCc1ncc(C(=O)Nc2ccc3c(cnn3C(C)C)c2)cn1.
What is the InChIKey of 2-(methylaminomethyl)-N-(1-propan-2-ylindazol-5-yl)pyrimidine-5-carboxamide?
The InChIKey is ZBEHPSUIEYSYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-11(2)23-15-5-4-14(6-12(15)9-21-23)22-17(24)13-7-19-16(10-18-3)20-8-13/h4-9,11,18H,10H2,1-3H3,(H,22,24).
What are the key properties of 2-(methylaminomethyl)-N-(1-propan-2-ylindazol-5-yl)pyrimidine-5-carboxamide?
2-(methylaminomethyl)-N-(1-propan-2-ylindazol-5-yl)pyrimidine-5-carboxamide has a molecular weight of 324.39 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-N-(1-propan-2-ylindazol-5-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 166303240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).