1-(2-methoxyethyl)-N-[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-3-carboxamide

C16H24N6O2 — CID 124621996

IUPAC1-(2-methoxyethyl)-N-[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-3-carboxamide
SMILESCOCCn1ccc(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)n1
InChIInChI=1S/C16H24N6O2/c1-11(2)15-18-14-5-4-12(10-22(14)20-15)17-16(23)13-6-7-21(19-13)8-9-24-3/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,17,23)/t12-/m0/s1
InChIKeyWKPOBYBCUURTEN-LBPRGKRZSA-N
MW332.41 g/mol
LogP0.99
Rot. Bonds6

About 1-(2-methoxyethyl)-N-[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-3-carboxamide

1-(2-methoxyethyl)-N-[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-3-carboxamide (PubChem CID 124621996) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-3-carboxamide
PubChem CID124621996
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name1-(2-methoxyethyl)-N-[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-3-carboxamide
SMILESCOCCn1ccc(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)n1
InChIInChI=1S/C16H24N6O2/c1-11(2)15-18-14-5-4-12(10-22(14)20-15)17-16(23)13-6-7-21(19-13)8-9-24-3/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,17,23)/t12-/m0/s1
InChIKeyWKPOBYBCUURTEN-LBPRGKRZSA-N
XLogP0.99
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-3-carboxamide (CID 124621996) is 1-(2-methoxyethyl)-N-[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-3-carboxamide is COCCn1ccc(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)n1.
What is the InChIKey of 1-(2-methoxyethyl)-N-[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-3-carboxamide?
The InChIKey is WKPOBYBCUURTEN-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-11(2)15-18-14-5-4-12(10-22(14)20-15)17-16(23)13-6-7-21(19-13)8-9-24-3/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,17,23)/t12-/m0/s1.
What are the key properties of 1-(2-methoxyethyl)-N-[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-3-carboxamide?
1-(2-methoxyethyl)-N-[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-3-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 124621996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).