8-propan-2-yl-4-[(2-pyrazol-1-ylphenyl)methylamino]-N-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2-carboxamide

C24H29N9O — CID 71732041

IUPAC8-propan-2-yl-4-[(2-pyrazol-1-ylphenyl)methylamino]-N-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2-carboxamide
SMILESCC(C)c1cnn2c(NCc3ccccc3-n3cccn3)nc(C(=O)NCC3CCNC3)nc12
InChIInChI=1S/C24H29N9O/c1-16(2)19-15-29-33-22(19)30-21(23(34)26-13-17-8-10-25-12-17)31-24(33)27-14-18-6-3-4-7-20(18)32-11-5-9-28-32/h3-7,9,11,15-17,25H,8,10,12-14H2,1-2H3,(H,26,34)(H,27,30,31)
InChIKeyOATIQNFFQZYXKL-UHFFFAOYSA-N
MW459.56 g/mol
LogP2.38
Rot. Bonds8

About 8-propan-2-yl-4-[(2-pyrazol-1-ylphenyl)methylamino]-N-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2-carboxamide

8-propan-2-yl-4-[(2-pyrazol-1-ylphenyl)methylamino]-N-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2-carboxamide (PubChem CID 71732041) has the molecular formula C24H29N9O and a molecular weight of 459.56 g/mol. Its IUPAC name is 8-propan-2-yl-4-[(2-pyrazol-1-ylphenyl)methylamino]-N-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2-carboxamide.

Molecular Properties

Compound Name8-propan-2-yl-4-[(2-pyrazol-1-ylphenyl)methylamino]-N-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2-carboxamide
PubChem CID71732041
Molecular FormulaC24H29N9O
Molecular Weight459.56 g/mol
Exact Mass459.25
IUPAC Name8-propan-2-yl-4-[(2-pyrazol-1-ylphenyl)methylamino]-N-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2-carboxamide
SMILESCC(C)c1cnn2c(NCc3ccccc3-n3cccn3)nc(C(=O)NCC3CCNC3)nc12
InChIInChI=1S/C24H29N9O/c1-16(2)19-15-29-33-22(19)30-21(23(34)26-13-17-8-10-25-12-17)31-24(33)27-14-18-6-3-4-7-20(18)32-11-5-9-28-32/h3-7,9,11,15-17,25H,8,10,12-14H2,1-2H3,(H,26,34)(H,27,30,31)
InChIKeyOATIQNFFQZYXKL-UHFFFAOYSA-N
XLogP2.38
TPSA114.06 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.56
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-4-[(2-pyrazol-1-ylphenyl)methylamino]-N-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2-carboxamide?
The IUPAC name of 8-propan-2-yl-4-[(2-pyrazol-1-ylphenyl)methylamino]-N-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2-carboxamide (CID 71732041) is 8-propan-2-yl-4-[(2-pyrazol-1-ylphenyl)methylamino]-N-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2-carboxamide.
What is the SMILES notation for 8-propan-2-yl-4-[(2-pyrazol-1-ylphenyl)methylamino]-N-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2-carboxamide?
The canonical SMILES for 8-propan-2-yl-4-[(2-pyrazol-1-ylphenyl)methylamino]-N-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2-carboxamide is CC(C)c1cnn2c(NCc3ccccc3-n3cccn3)nc(C(=O)NCC3CCNC3)nc12.
What is the InChIKey of 8-propan-2-yl-4-[(2-pyrazol-1-ylphenyl)methylamino]-N-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2-carboxamide?
The InChIKey is OATIQNFFQZYXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N9O/c1-16(2)19-15-29-33-22(19)30-21(23(34)26-13-17-8-10-25-12-17)31-24(33)27-14-18-6-3-4-7-20(18)32-11-5-9-28-32/h3-7,9,11,15-17,25H,8,10,12-14H2,1-2H3,(H,26,34)(H,27,30,31).
What are the key properties of 8-propan-2-yl-4-[(2-pyrazol-1-ylphenyl)methylamino]-N-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2-carboxamide?
8-propan-2-yl-4-[(2-pyrazol-1-ylphenyl)methylamino]-N-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2-carboxamide has a molecular weight of 459.56 g/mol, XLogP of 2.38, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-4-[(2-pyrazol-1-ylphenyl)methylamino]-N-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2-carboxamide is sourced from PubChem (CID 71732041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).