5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-quinolin-3-ylpyrimidin-2-amine

C22H20FN7 — CID 172786362

IUPAC5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-quinolin-3-ylpyrimidin-2-amine
SMILESFc1cnc(Nc2ccc(N3CCNCC3)cn2)nc1-c1cnc2ccccc2c1
InChIInChI=1S/C22H20FN7/c23-18-14-27-22(28-20-6-5-17(13-26-20)30-9-7-24-8-10-30)29-21(18)16-11-15-3-1-2-4-19(15)25-12-16/h1-6,11-14,24H,7-10H2,(H,26,27,28,29)
InChIKeyOYGNDNNINJVSTB-UHFFFAOYSA-N
MW401.45 g/mol
LogP3.38
Rot. Bonds4

About 5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-quinolin-3-ylpyrimidin-2-amine

5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-quinolin-3-ylpyrimidin-2-amine (PubChem CID 172786362) has the molecular formula C22H20FN7 and a molecular weight of 401.45 g/mol. Its IUPAC name is 5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-quinolin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-quinolin-3-ylpyrimidin-2-amine
PubChem CID172786362
Molecular FormulaC22H20FN7
Molecular Weight401.45 g/mol
Exact Mass401.18
IUPAC Name5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-quinolin-3-ylpyrimidin-2-amine
SMILESFc1cnc(Nc2ccc(N3CCNCC3)cn2)nc1-c1cnc2ccccc2c1
InChIInChI=1S/C22H20FN7/c23-18-14-27-22(28-20-6-5-17(13-26-20)30-9-7-24-8-10-30)29-21(18)16-11-15-3-1-2-4-19(15)25-12-16/h1-6,11-14,24H,7-10H2,(H,26,27,28,29)
InChIKeyOYGNDNNINJVSTB-UHFFFAOYSA-N
XLogP3.38
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-quinolin-3-ylpyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

7-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-N,N-dimethylquinoxalin-2-amine
CID 166635385
4-[6-[[5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one
CID 163381356
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
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
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
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
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
N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-amine
CID 163381263
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
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
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
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

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-quinolin-3-ylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-quinolin-3-ylpyrimidin-2-amine (CID 172786362) is 5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-quinolin-3-ylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-quinolin-3-ylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-quinolin-3-ylpyrimidin-2-amine is Fc1cnc(Nc2ccc(N3CCNCC3)cn2)nc1-c1cnc2ccccc2c1.
What is the InChIKey of 5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-quinolin-3-ylpyrimidin-2-amine?
The InChIKey is OYGNDNNINJVSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7/c23-18-14-27-22(28-20-6-5-17(13-26-20)30-9-7-24-8-10-30)29-21(18)16-11-15-3-1-2-4-19(15)25-12-16/h1-6,11-14,24H,7-10H2,(H,26,27,28,29).
What are the key properties of 5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-quinolin-3-ylpyrimidin-2-amine?
5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-quinolin-3-ylpyrimidin-2-amine has a molecular weight of 401.45 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-quinolin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 172786362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).