4-[1-(difluoromethyl)pyrazol-4-yl]-1-(1,3-thiazol-2-yl)spiro[5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidine-6,2'-cyclopentane]-1'-amine

C18H20F2N6S — CID 139293877

IUPAC4-[1-(difluoromethyl)pyrazol-4-yl]-1-(1,3-thiazol-2-yl)spiro[5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidine-6,2'-cyclopentane]-1'-amine
SMILESNC1CCCC12CC1=C(c3cnn(C(F)F)c3)CN=C(c3nccs3)N1C2
InChIInChI=1S/C18H20F2N6S/c19-17(20)26-9-11(7-24-26)12-8-23-15(16-22-4-5-27-16)25-10-18(6-13(12)25)3-1-2-14(18)21/h4-5,7,9,14,17H,1-3,6,8,10,21H2
InChIKeyFWJOJHSNTWRXNZ-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.11
Rot. Bonds3

About 4-[1-(difluoromethyl)pyrazol-4-yl]-1-(1,3-thiazol-2-yl)spiro[5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidine-6,2'-cyclopentane]-1'-amine

4-[1-(difluoromethyl)pyrazol-4-yl]-1-(1,3-thiazol-2-yl)spiro[5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidine-6,2'-cyclopentane]-1'-amine (PubChem CID 139293877) has the molecular formula C18H20F2N6S and a molecular weight of 390.46 g/mol. Its IUPAC name is 4-[1-(difluoromethyl)pyrazol-4-yl]-1-(1,3-thiazol-2-yl)spiro[5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidine-6,2'-cyclopentane]-1'-amine.

Molecular Properties

Compound Name4-[1-(difluoromethyl)pyrazol-4-yl]-1-(1,3-thiazol-2-yl)spiro[5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidine-6,2'-cyclopentane]-1'-amine
PubChem CID139293877
Molecular FormulaC18H20F2N6S
Molecular Weight390.46 g/mol
Exact Mass390.14
IUPAC Name4-[1-(difluoromethyl)pyrazol-4-yl]-1-(1,3-thiazol-2-yl)spiro[5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidine-6,2'-cyclopentane]-1'-amine
SMILESNC1CCCC12CC1=C(c3cnn(C(F)F)c3)CN=C(c3nccs3)N1C2
InChIInChI=1S/C18H20F2N6S/c19-17(20)26-9-11(7-24-26)12-8-23-15(16-22-4-5-27-16)25-10-18(6-13(12)25)3-1-2-14(18)21/h4-5,7,9,14,17H,1-3,6,8,10,21H2
InChIKeyFWJOJHSNTWRXNZ-UHFFFAOYSA-N
XLogP3.11
TPSA72.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[1-(difluoromethyl)pyrazol-4-yl]-1-(1,3-thiazol-2-yl)spiro[5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidine-6,2'-cyclopentane]-1'-amine with MolForge

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Related Compounds

1-chloro-3-fluorobenzene;2-[4-[1-(difluoromethyl)pyrazol-4-yl]-2'-methoxyspiro[5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidine-6,1'-cyclopentane]-1-yl]-1,3-thiazole
CID 142603525
2-[(3R)-3-(2-chloro-4-fluorophenyl)-4-[1-(difluoromethyl)pyrazol-4-yl]-2'-methylspiro[5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidine-6,1'-cyclopentane]-1-yl]-1,3-thiazole
CID 149117747
methyl N-[4-[1-(difluoromethyl)pyrazol-4-yl]-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]carbamate
CID 138724625
1-chloro-3-fluorobenzene;[4-[1-(difluoromethyl)pyrazol-4-yl]-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl acetate
CID 142603633
(3R,6R)-3-(2-chloro-4-fluorophenyl)-4-[1-(difluoromethyl)pyrazol-4-yl]-6-ethyl-1-(1,3-thiazol-2-yl)-5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidin-6-amine
CID 138724759
2-[5-[1-(difluoromethyl)pyrazol-4-yl]-6-ethyl-2-(1,3-thiazol-2-yl)-4H-pyrimidin-1-yl]ethanamine;1-fluoro-3-methylbenzene
CID 142603561
(3R,6S)-3-(2-chloro-4-fluorophenyl)-4-[1-(difluoromethyl)pyrazol-4-yl]-6-[(methylideneamino)methyl]-1-(1,3-thiazol-2-yl)-5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidin-6-amine
CID 161340863
[(3R,6R)-6-azido-3-(2-chloro-4-fluorophenyl)-4-[1-(difluoromethyl)pyrazol-4-yl]-1-(1,3-thiazol-2-yl)-5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidin-6-yl]methyl acetate
CID 138725539
2-[5-[1-(difluoromethyl)pyrazol-4-yl]-6-[(5-fluoro-2-phenyl-1,3-dioxan-5-yl)methyl]-1,4-dihydropyrimidin-2-yl]-1,3-thiazole
CID 138724910
2-[5-[1-(difluoromethyl)pyrazol-4-yl]-6-[2-fluoro-2-(methoxymethyl)-3-prop-2-enoxypropyl]-1,4-dihydropyrimidin-2-yl]-1,3-thiazole
CID 138724984
2-[(3R)-3-(2-chloro-4-fluorophenyl)-4-[1-(difluoromethyl)pyrazol-4-yl]-6-[(dimethylsulfamoylamino)methyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-1-yl]-1,3-thiazole
CID 162573635
N-[(3R,6S)-3-(2-chloro-4-fluorophenyl)-4-[1-(difluoromethyl)pyrazol-4-yl]-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]oxane-4-sulfonamide
CID 138724783

Frequently Asked Questions

What is the IUPAC name of 4-[1-(difluoromethyl)pyrazol-4-yl]-1-(1,3-thiazol-2-yl)spiro[5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidine-6,2'-cyclopentane]-1'-amine?
The IUPAC name of 4-[1-(difluoromethyl)pyrazol-4-yl]-1-(1,3-thiazol-2-yl)spiro[5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidine-6,2'-cyclopentane]-1'-amine (CID 139293877) is 4-[1-(difluoromethyl)pyrazol-4-yl]-1-(1,3-thiazol-2-yl)spiro[5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidine-6,2'-cyclopentane]-1'-amine.
What is the SMILES notation for 4-[1-(difluoromethyl)pyrazol-4-yl]-1-(1,3-thiazol-2-yl)spiro[5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidine-6,2'-cyclopentane]-1'-amine?
The canonical SMILES for 4-[1-(difluoromethyl)pyrazol-4-yl]-1-(1,3-thiazol-2-yl)spiro[5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidine-6,2'-cyclopentane]-1'-amine is NC1CCCC12CC1=C(c3cnn(C(F)F)c3)CN=C(c3nccs3)N1C2.
What is the InChIKey of 4-[1-(difluoromethyl)pyrazol-4-yl]-1-(1,3-thiazol-2-yl)spiro[5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidine-6,2'-cyclopentane]-1'-amine?
The InChIKey is FWJOJHSNTWRXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N6S/c19-17(20)26-9-11(7-24-26)12-8-23-15(16-22-4-5-27-16)25-10-18(6-13(12)25)3-1-2-14(18)21/h4-5,7,9,14,17H,1-3,6,8,10,21H2.
What are the key properties of 4-[1-(difluoromethyl)pyrazol-4-yl]-1-(1,3-thiazol-2-yl)spiro[5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidine-6,2'-cyclopentane]-1'-amine?
4-[1-(difluoromethyl)pyrazol-4-yl]-1-(1,3-thiazol-2-yl)spiro[5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidine-6,2'-cyclopentane]-1'-amine has a molecular weight of 390.46 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(difluoromethyl)pyrazol-4-yl]-1-(1,3-thiazol-2-yl)spiro[5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidine-6,2'-cyclopentane]-1'-amine is sourced from PubChem (CID 139293877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).