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

C22H21F3N6O — CID 177051653

IUPAC2-cyclopropyl-6-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N[C@H]2CCCn3nc(-c4ccnc(C(F)(F)F)c4)cc32)nc(C2CC2)n1
InChIInChI=1S/C22H21F3N6O/c1-12-9-17(28-20(27-12)13-4-5-13)21(32)29-15-3-2-8-31-18(15)11-16(30-31)14-6-7-26-19(10-14)22(23,24)25/h6-7,9-11,13,15H,2-5,8H2,1H3,(H,29,32)/t15-/m0/s1
InChIKeySZEPFULBHCWFCN-HNNXBMFYSA-N
MW442.45 g/mol
LogP4.20
Rot. Bonds4

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

2-cyclopropyl-6-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrimidine-4-carboxamide (PubChem CID 177051653) has the molecular formula C22H21F3N6O and a molecular weight of 442.45 g/mol. Its IUPAC name is 2-cyclopropyl-6-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-6-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrimidine-4-carboxamide
PubChem CID177051653
Molecular FormulaC22H21F3N6O
Molecular Weight442.45 g/mol
Exact Mass442.17
IUPAC Name2-cyclopropyl-6-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N[C@H]2CCCn3nc(-c4ccnc(C(F)(F)F)c4)cc32)nc(C2CC2)n1
InChIInChI=1S/C22H21F3N6O/c1-12-9-17(28-20(27-12)13-4-5-13)21(32)29-15-3-2-8-31-18(15)11-16(30-31)14-6-7-26-19(10-14)22(23,24)25/h6-7,9-11,13,15H,2-5,8H2,1H3,(H,29,32)/t15-/m0/s1
InChIKeySZEPFULBHCWFCN-HNNXBMFYSA-N
XLogP4.20
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-6-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrimidine-4-carboxamide (CID 177051653) is 2-cyclopropyl-6-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-6-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-6-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrimidine-4-carboxamide is Cc1cc(C(=O)N[C@H]2CCCn3nc(-c4ccnc(C(F)(F)F)c4)cc32)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrimidine-4-carboxamide?
The InChIKey is SZEPFULBHCWFCN-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H21F3N6O/c1-12-9-17(28-20(27-12)13-4-5-13)21(32)29-15-3-2-8-31-18(15)11-16(30-31)14-6-7-26-19(10-14)22(23,24)25/h6-7,9-11,13,15H,2-5,8H2,1H3,(H,29,32)/t15-/m0/s1.
What are the key properties of 2-cyclopropyl-6-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrimidine-4-carboxamide?
2-cyclopropyl-6-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrimidine-4-carboxamide has a molecular weight of 442.45 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 177051653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).