1H-indazol-3-yl-[4-[[4-methyl-6-(1-methylimidazol-2-yl)pyrimidin-2-yl]methyl]piperidin-1-yl]methanone

C23H25N7O — CID 110110724

IUPAC1H-indazol-3-yl-[4-[[4-methyl-6-(1-methylimidazol-2-yl)pyrimidin-2-yl]methyl]piperidin-1-yl]methanone
SMILESCc1cc(-c2nccn2C)nc(CC2CCN(C(=O)c3n[nH]c4ccccc34)CC2)n1
InChIInChI=1S/C23H25N7O/c1-15-13-19(22-24-9-12-29(22)2)26-20(25-15)14-16-7-10-30(11-8-16)23(31)21-17-5-3-4-6-18(17)27-28-21/h3-6,9,12-13,16H,7-8,10-11,14H2,1-2H3,(H,27,28)
InChIKeyPFPZZKFGENQWID-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.16
Rot. Bonds4

About 1H-indazol-3-yl-[4-[[4-methyl-6-(1-methylimidazol-2-yl)pyrimidin-2-yl]methyl]piperidin-1-yl]methanone

1H-indazol-3-yl-[4-[[4-methyl-6-(1-methylimidazol-2-yl)pyrimidin-2-yl]methyl]piperidin-1-yl]methanone (PubChem CID 110110724) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is 1H-indazol-3-yl-[4-[[4-methyl-6-(1-methylimidazol-2-yl)pyrimidin-2-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-[4-[[4-methyl-6-(1-methylimidazol-2-yl)pyrimidin-2-yl]methyl]piperidin-1-yl]methanone
PubChem CID110110724
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC Name1H-indazol-3-yl-[4-[[4-methyl-6-(1-methylimidazol-2-yl)pyrimidin-2-yl]methyl]piperidin-1-yl]methanone
SMILESCc1cc(-c2nccn2C)nc(CC2CCN(C(=O)c3n[nH]c4ccccc34)CC2)n1
InChIInChI=1S/C23H25N7O/c1-15-13-19(22-24-9-12-29(22)2)26-20(25-15)14-16-7-10-30(11-8-16)23(31)21-17-5-3-4-6-18(17)27-28-21/h3-6,9,12-13,16H,7-8,10-11,14H2,1-2H3,(H,27,28)
InChIKeyPFPZZKFGENQWID-UHFFFAOYSA-N
XLogP3.16
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
[4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 54878386
[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 154576480
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
1H-indazol-3-yl-[4-(2-methoxyethoxy)piperidin-1-yl]methanone
CID 91918253
1H-indazol-3-yl-(4-phenylpiperidin-1-yl)methanone
CID 143724811
1-(1H-indazole-3-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 47066202
[3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 110105995
1H-indazol-3-yl-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone
CID 70783899
1H-indazol-3-yl-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 60595450
1H-indazol-3-yl-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone
CID 87053093
[4-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110110205

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-[4-[[4-methyl-6-(1-methylimidazol-2-yl)pyrimidin-2-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of 1H-indazol-3-yl-[4-[[4-methyl-6-(1-methylimidazol-2-yl)pyrimidin-2-yl]methyl]piperidin-1-yl]methanone (CID 110110724) is 1H-indazol-3-yl-[4-[[4-methyl-6-(1-methylimidazol-2-yl)pyrimidin-2-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for 1H-indazol-3-yl-[4-[[4-methyl-6-(1-methylimidazol-2-yl)pyrimidin-2-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for 1H-indazol-3-yl-[4-[[4-methyl-6-(1-methylimidazol-2-yl)pyrimidin-2-yl]methyl]piperidin-1-yl]methanone is Cc1cc(-c2nccn2C)nc(CC2CCN(C(=O)c3n[nH]c4ccccc34)CC2)n1.
What is the InChIKey of 1H-indazol-3-yl-[4-[[4-methyl-6-(1-methylimidazol-2-yl)pyrimidin-2-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is PFPZZKFGENQWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O/c1-15-13-19(22-24-9-12-29(22)2)26-20(25-15)14-16-7-10-30(11-8-16)23(31)21-17-5-3-4-6-18(17)27-28-21/h3-6,9,12-13,16H,7-8,10-11,14H2,1-2H3,(H,27,28).
What are the key properties of 1H-indazol-3-yl-[4-[[4-methyl-6-(1-methylimidazol-2-yl)pyrimidin-2-yl]methyl]piperidin-1-yl]methanone?
1H-indazol-3-yl-[4-[[4-methyl-6-(1-methylimidazol-2-yl)pyrimidin-2-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 415.50 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-[4-[[4-methyl-6-(1-methylimidazol-2-yl)pyrimidin-2-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 110110724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).