(2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide

C18H18F3N7O — CID 139344459

IUPAC(2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide
SMILESC[C@H]1[C@@H](C(N)=O)NCCN1c1ccnc(-c2cnc3ccc(C(F)(F)F)cn23)n1
InChIInChI=1S/C18H18F3N7O/c1-10-15(16(22)29)23-6-7-27(10)14-4-5-24-17(26-14)12-8-25-13-3-2-11(9-28(12)13)18(19,20)21/h2-5,8-10,15,23H,6-7H2,1H3,(H2,22,29)/t10-,15-/m0/s1
InChIKeyWVWZSRSXUUBIFY-BONVTDFDSA-N
MW405.38 g/mol
LogP1.46
Rot. Bonds3

About (2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide

(2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide (PubChem CID 139344459) has the molecular formula C18H18F3N7O and a molecular weight of 405.38 g/mol. Its IUPAC name is (2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide
PubChem CID139344459
Molecular FormulaC18H18F3N7O
Molecular Weight405.38 g/mol
Exact Mass405.15
IUPAC Name(2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide
SMILESC[C@H]1[C@@H](C(N)=O)NCCN1c1ccnc(-c2cnc3ccc(C(F)(F)F)cn23)n1
InChIInChI=1S/C18H18F3N7O/c1-10-15(16(22)29)23-6-7-27(10)14-4-5-24-17(26-14)12-8-25-13-3-2-11(9-28(12)13)18(19,20)21/h2-5,8-10,15,23H,6-7H2,1H3,(H2,22,29)/t10-,15-/m0/s1
InChIKeyWVWZSRSXUUBIFY-BONVTDFDSA-N
XLogP1.46
TPSA101.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide?
The IUPAC name of (2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide (CID 139344459) is (2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide.
What is the SMILES notation for (2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide?
The canonical SMILES for (2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide is C[C@H]1[C@@H](C(N)=O)NCCN1c1ccnc(-c2cnc3ccc(C(F)(F)F)cn23)n1.
What is the InChIKey of (2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide?
The InChIKey is WVWZSRSXUUBIFY-BONVTDFDSA-N. The full InChI is InChI=1S/C18H18F3N7O/c1-10-15(16(22)29)23-6-7-27(10)14-4-5-24-17(26-14)12-8-25-13-3-2-11(9-28(12)13)18(19,20)21/h2-5,8-10,15,23H,6-7H2,1H3,(H2,22,29)/t10-,15-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide?
(2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide has a molecular weight of 405.38 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide is sourced from PubChem (CID 139344459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).