N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-yl)-6-piperidin-1-ylpyrimidine-4-carboxamide

C17H26N6O — CID 133269714

IUPACN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-yl)-6-piperidin-1-ylpyrimidine-4-carboxamide
SMILESO=C(NC1CCC2CNNC2C1)c1cc(N2CCCCC2)ncn1
InChIInChI=1S/C17H26N6O/c24-17(21-13-5-4-12-10-20-22-14(12)8-13)15-9-16(19-11-18-15)23-6-2-1-3-7-23/h9,11-14,20,22H,1-8,10H2,(H,21,24)
InChIKeyWGXLSUFSMWUKSX-UHFFFAOYSA-N
MW330.44 g/mol
LogP0.84
Rot. Bonds3

About N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-yl)-6-piperidin-1-ylpyrimidine-4-carboxamide

N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-yl)-6-piperidin-1-ylpyrimidine-4-carboxamide (PubChem CID 133269714) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-yl)-6-piperidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-yl)-6-piperidin-1-ylpyrimidine-4-carboxamide
PubChem CID133269714
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-yl)-6-piperidin-1-ylpyrimidine-4-carboxamide
SMILESO=C(NC1CCC2CNNC2C1)c1cc(N2CCCCC2)ncn1
InChIInChI=1S/C17H26N6O/c24-17(21-13-5-4-12-10-20-22-14(12)8-13)15-9-16(19-11-18-15)23-6-2-1-3-7-23/h9,11-14,20,22H,1-8,10H2,(H,21,24)
InChIKeyWGXLSUFSMWUKSX-UHFFFAOYSA-N
XLogP0.84
TPSA82.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-yl)-6-piperidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-yl)-6-piperidin-1-ylpyrimidine-4-carboxamide (CID 133269714) is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-yl)-6-piperidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-yl)-6-piperidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-yl)-6-piperidin-1-ylpyrimidine-4-carboxamide is O=C(NC1CCC2CNNC2C1)c1cc(N2CCCCC2)ncn1.
What is the InChIKey of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-yl)-6-piperidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is WGXLSUFSMWUKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c24-17(21-13-5-4-12-10-20-22-14(12)8-13)15-9-16(19-11-18-15)23-6-2-1-3-7-23/h9,11-14,20,22H,1-8,10H2,(H,21,24).
What are the key properties of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-yl)-6-piperidin-1-ylpyrimidine-4-carboxamide?
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-yl)-6-piperidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 330.44 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-yl)-6-piperidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 133269714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).