1H-indazol-3-yl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methanone

C19H18N6O — CID 110091319

IUPAC1H-indazol-3-yl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCC(c2ccnc3ccnn23)CC1
InChIInChI=1S/C19H18N6O/c26-19(18-14-3-1-2-4-15(14)22-23-18)24-11-7-13(8-12-24)16-5-9-20-17-6-10-21-25(16)17/h1-6,9-10,13H,7-8,11-12H2,(H,22,23)
InChIKeyPRKOUNUEZUGNNF-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.63
Rot. Bonds2

About 1H-indazol-3-yl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methanone

1H-indazol-3-yl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methanone (PubChem CID 110091319) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 1H-indazol-3-yl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methanone
PubChem CID110091319
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name1H-indazol-3-yl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCC(c2ccnc3ccnn23)CC1
InChIInChI=1S/C19H18N6O/c26-19(18-14-3-1-2-4-15(14)22-23-18)24-11-7-13(8-12-24)16-5-9-20-17-6-10-21-25(16)17/h1-6,9-10,13H,7-8,11-12H2,(H,22,23)
InChIKeyPRKOUNUEZUGNNF-UHFFFAOYSA-N
XLogP2.63
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1H-indazol-3-yl-(4-phenylpiperidin-1-yl)methanone
CID 143724811
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
[4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 54878386
(1-methylpyrazol-3-yl)-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methanone
CID 110091261
1-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one
CID 71912055
(3-ethyl-1,2-oxazol-5-yl)-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methanone
CID 110091282
1H-indazol-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53192626
1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81465787
1H-indazol-3-yl-[4-(2-methoxyethoxy)piperidin-1-yl]methanone
CID 91918253
1H-indazol-3-yl-[4-(2-phenoxyethoxy)piperidin-1-yl]methanone
CID 91907824
[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 154576480
1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 41363693

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methanone?
The IUPAC name of 1H-indazol-3-yl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methanone (CID 110091319) is 1H-indazol-3-yl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methanone.
What is the SMILES notation for 1H-indazol-3-yl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methanone?
The canonical SMILES for 1H-indazol-3-yl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methanone is O=C(c1n[nH]c2ccccc12)N1CCC(c2ccnc3ccnn23)CC1.
What is the InChIKey of 1H-indazol-3-yl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methanone?
The InChIKey is PRKOUNUEZUGNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c26-19(18-14-3-1-2-4-15(14)22-23-18)24-11-7-13(8-12-24)16-5-9-20-17-6-10-21-25(16)17/h1-6,9-10,13H,7-8,11-12H2,(H,22,23).
What are the key properties of 1H-indazol-3-yl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methanone?
1H-indazol-3-yl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methanone has a molecular weight of 346.39 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 110091319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).