N-[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine-2-carboxamide

C17H15F2N5O — CID 95614864

IUPACN-[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(N[C@H]1CCN(c2ccc(F)cc2F)C1)c1cn2cccnc2n1
InChIInChI=1S/C17H15F2N5O/c18-11-2-3-15(13(19)8-11)23-7-4-12(9-23)21-16(25)14-10-24-6-1-5-20-17(24)22-14/h1-3,5-6,8,10,12H,4,7,9H2,(H,21,25)/t12-/m0/s1
InChIKeyYIBLTVJUKYKHDO-LBPRGKRZSA-N
MW343.34 g/mol
LogP2.02
Rot. Bonds3

About N-[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine-2-carboxamide

N-[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 95614864) has the molecular formula C17H15F2N5O and a molecular weight of 343.34 g/mol. Its IUPAC name is N-[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID95614864
Molecular FormulaC17H15F2N5O
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN-[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(N[C@H]1CCN(c2ccc(F)cc2F)C1)c1cn2cccnc2n1
InChIInChI=1S/C17H15F2N5O/c18-11-2-3-15(13(19)8-11)23-7-4-12(9-23)21-16(25)14-10-24-6-1-5-20-17(24)22-14/h1-3,5-6,8,10,12H,4,7,9H2,(H,21,25)/t12-/m0/s1
InChIKeyYIBLTVJUKYKHDO-LBPRGKRZSA-N
XLogP2.02
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 95614562
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 56909109
N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-5-fluoro-1-benzofuran-2-carboxamide
CID 86967753
N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-hydroxy-3-methylbenzamide
CID 86896565
N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 56782524
N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-N'-phenyloxamide
CID 95614867
N-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 99712859
methyl (2S)-2-(2,5-difluorophenyl)-2-(imidazo[1,2-a]pyrimidine-2-carbonylamino)acetate
CID 94823473
(3R)-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(2,4-difluorophenyl)pyrrolidin-3-amine
CID 99620217
N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 56782313
(2S)-2-[[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]-2-phenylacetamide
CID 95322499
1-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111920866

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine-2-carboxamide (CID 95614864) is N-[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine-2-carboxamide is O=C(N[C@H]1CCN(c2ccc(F)cc2F)C1)c1cn2cccnc2n1.
What is the InChIKey of N-[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is YIBLTVJUKYKHDO-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H15F2N5O/c18-11-2-3-15(13(19)8-11)23-7-4-12(9-23)21-16(25)14-10-24-6-1-5-20-17(24)22-14/h1-3,5-6,8,10,12H,4,7,9H2,(H,21,25)/t12-/m0/s1.
What are the key properties of N-[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine-2-carboxamide?
N-[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 343.34 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 95614864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).