6-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide

C21H24N6O2 — CID 124975865

IUPAC6-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide
SMILESCN(C)C(=O)c1cc(C[C@H]2CCCN(C(=O)c3n[nH]c4ccccc34)C2)ncn1
InChIInChI=1S/C21H24N6O2/c1-26(2)20(28)18-11-15(22-13-23-18)10-14-6-5-9-27(12-14)21(29)19-16-7-3-4-8-17(16)24-25-19/h3-4,7-8,11,13-14H,5-6,9-10,12H2,1-2H3,(H,24,25)/t14-/m1/s1
InChIKeyLBBYXBVENGMSOV-CQSZACIVSA-N
MW392.46 g/mol
LogP2.15
Rot. Bonds4

About 6-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide

6-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide (PubChem CID 124975865) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide
PubChem CID124975865
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name6-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide
SMILESCN(C)C(=O)c1cc(C[C@H]2CCCN(C(=O)c3n[nH]c4ccccc34)C2)ncn1
InChIInChI=1S/C21H24N6O2/c1-26(2)20(28)18-11-15(22-13-23-18)10-14-6-5-9-27(12-14)21(29)19-16-7-3-4-8-17(16)24-25-19/h3-4,7-8,11,13-14H,5-6,9-10,12H2,1-2H3,(H,24,25)/t14-/m1/s1
InChIKeyLBBYXBVENGMSOV-CQSZACIVSA-N
XLogP2.15
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide with MolForge

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Related Compounds

1H-indazol-3-yl-[(3S)-3-[[6-(1-methylimidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone
CID 124954810
6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide
CID 110095121
tert-butyl N-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]carbamate
CID 52761217
6-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide
CID 124986814
6-[[1-(2-fluorobenzoyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide
CID 110109928
1H-indazol-3-yl-[(6R)-6-(pyrimidin-4-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124996746
N-[1-(1H-indazole-3-carbonyl)piperidin-3-yl]methanesulfonamide
CID 51079181
1H-indazol-3-yl-(3-propoxypiperidin-1-yl)methanone
CID 56820766
N-(4-fluoro-2-methylphenyl)-3-[1-(1H-indazole-3-carbonyl)piperidin-3-yl]propanamide
CID 45207440
methyl (3S)-1-(1H-indazole-3-carbonyl)piperidine-3-carboxylate
CID 78918912
3-[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 42291079
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(1H-indazol-3-yl)methanone
CID 11715985

Frequently Asked Questions

What is the IUPAC name of 6-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide?
The IUPAC name of 6-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide (CID 124975865) is 6-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide is CN(C)C(=O)c1cc(C[C@H]2CCCN(C(=O)c3n[nH]c4ccccc34)C2)ncn1.
What is the InChIKey of 6-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide?
The InChIKey is LBBYXBVENGMSOV-CQSZACIVSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-26(2)20(28)18-11-15(22-13-23-18)10-14-6-5-9-27(12-14)21(29)19-16-7-3-4-8-17(16)24-25-19/h3-4,7-8,11,13-14H,5-6,9-10,12H2,1-2H3,(H,24,25)/t14-/m1/s1.
What are the key properties of 6-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide?
6-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 124975865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).