N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide

C21H19F3N8O2 — CID 139344892

IUPACN-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESO=C(N[C@H]1C[C@H](O)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1)c1cn[nH]c1
InChIInChI=1S/C21H19F3N8O2/c22-21(23,24)13-1-2-17-26-8-16(32(17)9-13)19-25-4-3-18(30-19)31-10-14(5-15(33)11-31)29-20(34)12-6-27-28-7-12/h1-4,6-9,14-15,33H,5,10-11H2,(H,27,28)(H,29,34)/t14-,15-/m0/s1
InChIKeyZLUQRAJQQQGQKC-GJZGRUSLSA-N
MW472.43 g/mol
LogP1.90
Rot. Bonds4

About N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide

N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide (PubChem CID 139344892) has the molecular formula C21H19F3N8O2 and a molecular weight of 472.43 g/mol. Its IUPAC name is N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
PubChem CID139344892
Molecular FormulaC21H19F3N8O2
Molecular Weight472.43 g/mol
Exact Mass472.16
IUPAC NameN-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESO=C(N[C@H]1C[C@H](O)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1)c1cn[nH]c1
InChIInChI=1S/C21H19F3N8O2/c22-21(23,24)13-1-2-17-26-8-16(32(17)9-13)19-25-4-3-18(30-19)31-10-14(5-15(33)11-31)29-20(34)12-6-27-28-7-12/h1-4,6-9,14-15,33H,5,10-11H2,(H,27,28)(H,29,34)/t14-,15-/m0/s1
InChIKeyZLUQRAJQQQGQKC-GJZGRUSLSA-N
XLogP1.90
TPSA124.33 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.43
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide (CID 139344892) is N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide is O=C(N[C@H]1C[C@H](O)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1)c1cn[nH]c1.
What is the InChIKey of N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is ZLUQRAJQQQGQKC-GJZGRUSLSA-N. The full InChI is InChI=1S/C21H19F3N8O2/c22-21(23,24)13-1-2-17-26-8-16(32(17)9-13)19-25-4-3-18(30-19)31-10-14(5-15(33)11-31)29-20(34)12-6-27-28-7-12/h1-4,6-9,14-15,33H,5,10-11H2,(H,27,28)(H,29,34)/t14-,15-/m0/s1.
What are the key properties of N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide?
N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 472.43 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 139344892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).