N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide

C21H20F3N7O — CID 166009039

IUPACN-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
SMILESO=C(NC1CCC(Nc2cccc3nc(C(F)(F)F)cn23)CC1)c1ncnc2[nH]ccc12
InChIInChI=1S/C21H20F3N7O/c22-21(23,24)15-10-31-16(2-1-3-17(31)30-15)28-12-4-6-13(7-5-12)29-20(32)18-14-8-9-25-19(14)27-11-26-18/h1-3,8-13,28H,4-7H2,(H,29,32)(H,25,26,27)
InChIKeyDYNWYYRGKUDUHY-UHFFFAOYSA-N
MW443.43 g/mol
LogP3.78
Rot. Bonds4

About N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide

N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide (PubChem CID 166009039) has the molecular formula C21H20F3N7O and a molecular weight of 443.43 g/mol. Its IUPAC name is N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
PubChem CID166009039
Molecular FormulaC21H20F3N7O
Molecular Weight443.43 g/mol
Exact Mass443.17
IUPAC NameN-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
SMILESO=C(NC1CCC(Nc2cccc3nc(C(F)(F)F)cn23)CC1)c1ncnc2[nH]ccc12
InChIInChI=1S/C21H20F3N7O/c22-21(23,24)15-10-31-16(2-1-3-17(31)30-15)28-12-4-6-13(7-5-12)29-20(32)18-14-8-9-25-19(14)27-11-26-18/h1-3,8-13,28H,4-7H2,(H,29,32)(H,25,26,27)
InChIKeyDYNWYYRGKUDUHY-UHFFFAOYSA-N
XLogP3.78
TPSA100.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The IUPAC name of N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide (CID 166009039) is N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The canonical SMILES for N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide is O=C(NC1CCC(Nc2cccc3nc(C(F)(F)F)cn23)CC1)c1ncnc2[nH]ccc12.
What is the InChIKey of N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The InChIKey is DYNWYYRGKUDUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N7O/c22-21(23,24)15-10-31-16(2-1-3-17(31)30-15)28-12-4-6-13(7-5-12)29-20(32)18-14-8-9-25-19(14)27-11-26-18/h1-3,8-13,28H,4-7H2,(H,29,32)(H,25,26,27).
What are the key properties of N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide has a molecular weight of 443.43 g/mol, XLogP of 3.78, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 166009039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).