1-[3-cyclopropyl-8-fluoro-6-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]imidazo[1,5-a]pyridin-1-yl]ethanone

C25H24F2N8O — CID 137497390

IUPAC1-[3-cyclopropyl-8-fluoro-6-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]imidazo[1,5-a]pyridin-1-yl]ethanone
SMILESCC(=O)c1nc(C2CC2)n2cc(-c3nc(Nc4ccc(N5CCNCC5)cn4)ncc3F)cc(F)c12
InChIInChI=1S/C25H24F2N8O/c1-14(36)21-23-18(26)10-16(13-35(23)24(32-21)15-2-3-15)22-19(27)12-30-25(33-22)31-20-5-4-17(11-29-20)34-8-6-28-7-9-34/h4-5,10-13,15,28H,2-3,6-9H2,1H3,(H,29,30,31,33)
InChIKeyHCAPBCXBINJAJC-UHFFFAOYSA-N
MW490.52 g/mol
LogP3.70
Rot. Bonds6

About 1-[3-cyclopropyl-8-fluoro-6-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]imidazo[1,5-a]pyridin-1-yl]ethanone

1-[3-cyclopropyl-8-fluoro-6-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]imidazo[1,5-a]pyridin-1-yl]ethanone (PubChem CID 137497390) has the molecular formula C25H24F2N8O and a molecular weight of 490.52 g/mol. Its IUPAC name is 1-[3-cyclopropyl-8-fluoro-6-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]imidazo[1,5-a]pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-cyclopropyl-8-fluoro-6-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]imidazo[1,5-a]pyridin-1-yl]ethanone
PubChem CID137497390
Molecular FormulaC25H24F2N8O
Molecular Weight490.52 g/mol
Exact Mass490.20
IUPAC Name1-[3-cyclopropyl-8-fluoro-6-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]imidazo[1,5-a]pyridin-1-yl]ethanone
SMILESCC(=O)c1nc(C2CC2)n2cc(-c3nc(Nc4ccc(N5CCNCC5)cn4)ncc3F)cc(F)c12
InChIInChI=1S/C25H24F2N8O/c1-14(36)21-23-18(26)10-16(13-35(23)24(32-21)15-2-3-15)22-19(27)12-30-25(33-22)31-20-5-4-17(11-29-20)34-8-6-28-7-9-34/h4-5,10-13,15,28H,2-3,6-9H2,1H3,(H,29,30,31,33)
InChIKeyHCAPBCXBINJAJC-UHFFFAOYSA-N
XLogP3.70
TPSA100.34 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.52
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[3-cyclopropyl-8-fluoro-6-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]imidazo[1,5-a]pyridin-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

5-fluoro-4-(8-fluoro-2-methyl-4-prop-1-en-2-ylquinolin-6-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine;hydrochloride
CID 175745504
5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-quinolin-3-ylpyrimidin-2-amine
CID 172786362
8-fluoro-6-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-4-propan-2-yl-1,4-benzothiazin-3-one
CID 166121027
5-fluoro-4-(8-fluoro-1-methyl-4-propan-2-yl-2,3-dihydroquinoxalin-6-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine
CID 166121076
6-fluoro-8-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]quinolin-5-one
CID 166121128
7-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-N,N-dimethylquinoxalin-2-amine
CID 166635385
8-fluoro-6-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-4-propan-2-yl-1,4-benzoxazin-3-one
CID 139390032
4-(2-ethyl-5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine
CID 159346417
N-[5-(1,4-diazepan-1-yl)-2-pyridinyl]-5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-amine
CID 139390133
5-fluoro-4-(8-fluoro-4-propan-2-ylspiro[2H-1,4-benzoxazine-3,1'-cyclopentane]-6-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine
CID 166120580
N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-amine
CID 163381263
1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-4-ol
CID 118859726

Frequently Asked Questions

What is the IUPAC name of 1-[3-cyclopropyl-8-fluoro-6-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]imidazo[1,5-a]pyridin-1-yl]ethanone?
The IUPAC name of 1-[3-cyclopropyl-8-fluoro-6-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]imidazo[1,5-a]pyridin-1-yl]ethanone (CID 137497390) is 1-[3-cyclopropyl-8-fluoro-6-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]imidazo[1,5-a]pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[3-cyclopropyl-8-fluoro-6-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]imidazo[1,5-a]pyridin-1-yl]ethanone?
The canonical SMILES for 1-[3-cyclopropyl-8-fluoro-6-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]imidazo[1,5-a]pyridin-1-yl]ethanone is CC(=O)c1nc(C2CC2)n2cc(-c3nc(Nc4ccc(N5CCNCC5)cn4)ncc3F)cc(F)c12.
What is the InChIKey of 1-[3-cyclopropyl-8-fluoro-6-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]imidazo[1,5-a]pyridin-1-yl]ethanone?
The InChIKey is HCAPBCXBINJAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N8O/c1-14(36)21-23-18(26)10-16(13-35(23)24(32-21)15-2-3-15)22-19(27)12-30-25(33-22)31-20-5-4-17(11-29-20)34-8-6-28-7-9-34/h4-5,10-13,15,28H,2-3,6-9H2,1H3,(H,29,30,31,33).
What are the key properties of 1-[3-cyclopropyl-8-fluoro-6-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]imidazo[1,5-a]pyridin-1-yl]ethanone?
1-[3-cyclopropyl-8-fluoro-6-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]imidazo[1,5-a]pyridin-1-yl]ethanone has a molecular weight of 490.52 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-cyclopropyl-8-fluoro-6-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]imidazo[1,5-a]pyridin-1-yl]ethanone is sourced from PubChem (CID 137497390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).