5-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H18F3N7O — CID 177051506

IUPAC5-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccn2ncc(C(=O)N[C@H]3CCCn4nc(-c5ccnc(C(F)(F)F)c5)cc43)c2n1
InChIInChI=1S/C21H18F3N7O/c1-12-5-8-31-19(27-12)14(11-26-31)20(32)28-15-3-2-7-30-17(15)10-16(29-30)13-4-6-25-18(9-13)21(22,23)24/h4-6,8-11,15H,2-3,7H2,1H3,(H,28,32)/t15-/m0/s1
InChIKeyFNTBJCLESHIYTP-HNNXBMFYSA-N
MW441.42 g/mol
LogP3.58
Rot. Bonds3

About 5-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 177051506) has the molecular formula C21H18F3N7O and a molecular weight of 441.42 g/mol. Its IUPAC name is 5-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID177051506
Molecular FormulaC21H18F3N7O
Molecular Weight441.42 g/mol
Exact Mass441.15
IUPAC Name5-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccn2ncc(C(=O)N[C@H]3CCCn4nc(-c5ccnc(C(F)(F)F)c5)cc43)c2n1
InChIInChI=1S/C21H18F3N7O/c1-12-5-8-31-19(27-12)14(11-26-31)20(32)28-15-3-2-7-30-17(15)10-16(29-30)13-4-6-25-18(9-13)21(22,23)24/h4-6,8-11,15H,2-3,7H2,1H3,(H,28,32)/t15-/m0/s1
InChIKeyFNTBJCLESHIYTP-HNNXBMFYSA-N
XLogP3.58
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 177051506) is 5-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccn2ncc(C(=O)N[C@H]3CCCn4nc(-c5ccnc(C(F)(F)F)c5)cc43)c2n1.
What is the InChIKey of 5-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FNTBJCLESHIYTP-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H18F3N7O/c1-12-5-8-31-19(27-12)14(11-26-31)20(32)28-15-3-2-7-30-17(15)10-16(29-30)13-4-6-25-18(9-13)21(22,23)24/h4-6,8-11,15H,2-3,7H2,1H3,(H,28,32)/t15-/m0/s1.
What are the key properties of 5-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 441.42 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 177051506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).