2-methyl-N-[1-[4-methyl-5-(4,5,6,7-tetrahydro-1H-indazol-4-yl)-1,2,4-triazol-3-yl]piperidin-4-yl]propanamide

C19H29N7O — CID 167748073

IUPAC2-methyl-N-[1-[4-methyl-5-(4,5,6,7-tetrahydro-1H-indazol-4-yl)-1,2,4-triazol-3-yl]piperidin-4-yl]propanamide
SMILESCC(C)C(=O)NC1CCN(c2nnc(C3CCCc4[nH]ncc43)n2C)CC1
InChIInChI=1S/C19H29N7O/c1-12(2)18(27)21-13-7-9-26(10-8-13)19-24-23-17(25(19)3)14-5-4-6-16-15(14)11-20-22-16/h11-14H,4-10H2,1-3H3,(H,20,22)(H,21,27)
InChIKeyVLWVVWFWMAOPHY-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.75
Rot. Bonds4

About 2-methyl-N-[1-[4-methyl-5-(4,5,6,7-tetrahydro-1H-indazol-4-yl)-1,2,4-triazol-3-yl]piperidin-4-yl]propanamide

2-methyl-N-[1-[4-methyl-5-(4,5,6,7-tetrahydro-1H-indazol-4-yl)-1,2,4-triazol-3-yl]piperidin-4-yl]propanamide (PubChem CID 167748073) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-methyl-N-[1-[4-methyl-5-(4,5,6,7-tetrahydro-1H-indazol-4-yl)-1,2,4-triazol-3-yl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-[4-methyl-5-(4,5,6,7-tetrahydro-1H-indazol-4-yl)-1,2,4-triazol-3-yl]piperidin-4-yl]propanamide
PubChem CID167748073
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC Name2-methyl-N-[1-[4-methyl-5-(4,5,6,7-tetrahydro-1H-indazol-4-yl)-1,2,4-triazol-3-yl]piperidin-4-yl]propanamide
SMILESCC(C)C(=O)NC1CCN(c2nnc(C3CCCc4[nH]ncc43)n2C)CC1
InChIInChI=1S/C19H29N7O/c1-12(2)18(27)21-13-7-9-26(10-8-13)19-24-23-17(25(19)3)14-5-4-6-16-15(14)11-20-22-16/h11-14H,4-10H2,1-3H3,(H,20,22)(H,21,27)
InChIKeyVLWVVWFWMAOPHY-UHFFFAOYSA-N
XLogP1.75
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[4-methyl-5-(4,5,6,7-tetrahydro-1H-indazol-4-yl)-1,2,4-triazol-3-yl]piperidin-4-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-[4-methyl-5-(4,5,6,7-tetrahydro-1H-indazol-4-yl)-1,2,4-triazol-3-yl]piperidin-4-yl]propanamide (CID 167748073) is 2-methyl-N-[1-[4-methyl-5-(4,5,6,7-tetrahydro-1H-indazol-4-yl)-1,2,4-triazol-3-yl]piperidin-4-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-[4-methyl-5-(4,5,6,7-tetrahydro-1H-indazol-4-yl)-1,2,4-triazol-3-yl]piperidin-4-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-[4-methyl-5-(4,5,6,7-tetrahydro-1H-indazol-4-yl)-1,2,4-triazol-3-yl]piperidin-4-yl]propanamide is CC(C)C(=O)NC1CCN(c2nnc(C3CCCc4[nH]ncc43)n2C)CC1.
What is the InChIKey of 2-methyl-N-[1-[4-methyl-5-(4,5,6,7-tetrahydro-1H-indazol-4-yl)-1,2,4-triazol-3-yl]piperidin-4-yl]propanamide?
The InChIKey is VLWVVWFWMAOPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O/c1-12(2)18(27)21-13-7-9-26(10-8-13)19-24-23-17(25(19)3)14-5-4-6-16-15(14)11-20-22-16/h11-14H,4-10H2,1-3H3,(H,20,22)(H,21,27).
What are the key properties of 2-methyl-N-[1-[4-methyl-5-(4,5,6,7-tetrahydro-1H-indazol-4-yl)-1,2,4-triazol-3-yl]piperidin-4-yl]propanamide?
2-methyl-N-[1-[4-methyl-5-(4,5,6,7-tetrahydro-1H-indazol-4-yl)-1,2,4-triazol-3-yl]piperidin-4-yl]propanamide has a molecular weight of 371.49 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[4-methyl-5-(4,5,6,7-tetrahydro-1H-indazol-4-yl)-1,2,4-triazol-3-yl]piperidin-4-yl]propanamide is sourced from PubChem (CID 167748073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).