3-[(2R)-4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C20H30N6O — CID 97448794

IUPAC3-[(2R)-4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCC(C)N1CCN(CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)N(C)C)cn12
InChIInChI=1S/C20H30N6O/c1-14(2)25-10-9-24(11-15-5-6-15)13-17(25)19-22-21-18-8-7-16(12-26(18)19)20(27)23(3)4/h7-8,12,14-15,17H,5-6,9-11,13H2,1-4H3/t17-/m1/s1
InChIKeyFIULQGLTEAXWMS-QGZVFWFLSA-N
MW370.50 g/mol
LogP1.91
Rot. Bonds5

About 3-[(2R)-4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

3-[(2R)-4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 97448794) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is 3-[(2R)-4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[(2R)-4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID97448794
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name3-[(2R)-4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCC(C)N1CCN(CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)N(C)C)cn12
InChIInChI=1S/C20H30N6O/c1-14(2)25-10-9-24(11-15-5-6-15)13-17(25)19-22-21-18-8-7-16(12-26(18)19)20(27)23(3)4/h7-8,12,14-15,17H,5-6,9-11,13H2,1-4H3/t17-/m1/s1
InChIKeyFIULQGLTEAXWMS-QGZVFWFLSA-N
XLogP1.91
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 3-[(2R)-4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 97448794) is 3-[(2R)-4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-[(2R)-4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 3-[(2R)-4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CC(C)N1CCN(CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)N(C)C)cn12.
What is the InChIKey of 3-[(2R)-4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is FIULQGLTEAXWMS-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H30N6O/c1-14(2)25-10-9-24(11-15-5-6-15)13-17(25)19-22-21-18-8-7-16(12-26(18)19)20(27)23(3)4/h7-8,12,14-15,17H,5-6,9-11,13H2,1-4H3/t17-/m1/s1.
What are the key properties of 3-[(2R)-4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
3-[(2R)-4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 97448794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).