6-[1-[7-[4-[(2R)-butan-2-yl]-1H-pyrazol-5-yl]-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]ethenyl]-5,7-difluoroquinoline

C23H22F2N6 — CID 163302536

IUPAC6-[1-[7-[4-[(2R)-butan-2-yl]-1H-pyrazol-5-yl]-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]ethenyl]-5,7-difluoroquinoline
SMILESC=C(c1c(F)cc2ncccc2c1F)N1CCn2ncc(-c3[nH]ncc3[C@H](C)CC)c21
InChIInChI=1S/C23H22F2N6/c1-4-13(2)16-11-27-29-22(16)17-12-28-31-9-8-30(23(17)31)14(3)20-18(24)10-19-15(21(20)25)6-5-7-26-19/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,27,29)/t13-/m1/s1
InChIKeyIYTLDZJCQUUNSP-CYBMUJFWSA-N
MW420.47 g/mol
LogP5.10
Rot. Bonds5

About 6-[1-[7-[4-[(2R)-butan-2-yl]-1H-pyrazol-5-yl]-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]ethenyl]-5,7-difluoroquinoline

6-[1-[7-[4-[(2R)-butan-2-yl]-1H-pyrazol-5-yl]-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]ethenyl]-5,7-difluoroquinoline (PubChem CID 163302536) has the molecular formula C23H22F2N6 and a molecular weight of 420.47 g/mol. Its IUPAC name is 6-[1-[7-[4-[(2R)-butan-2-yl]-1H-pyrazol-5-yl]-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]ethenyl]-5,7-difluoroquinoline.

Molecular Properties

Compound Name6-[1-[7-[4-[(2R)-butan-2-yl]-1H-pyrazol-5-yl]-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]ethenyl]-5,7-difluoroquinoline
PubChem CID163302536
Molecular FormulaC23H22F2N6
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Name6-[1-[7-[4-[(2R)-butan-2-yl]-1H-pyrazol-5-yl]-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]ethenyl]-5,7-difluoroquinoline
SMILESC=C(c1c(F)cc2ncccc2c1F)N1CCn2ncc(-c3[nH]ncc3[C@H](C)CC)c21
InChIInChI=1S/C23H22F2N6/c1-4-13(2)16-11-27-29-22(16)17-12-28-31-9-8-30(23(17)31)14(3)20-18(24)10-19-15(21(20)25)6-5-7-26-19/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,27,29)/t13-/m1/s1
InChIKeyIYTLDZJCQUUNSP-CYBMUJFWSA-N
XLogP5.10
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.47
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[1-[7-[4-[(2R)-butan-2-yl]-1H-pyrazol-5-yl]-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]ethenyl]-5,7-difluoroquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[7-[4-[(2R)-butan-2-yl]-1H-pyrazol-5-yl]-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]ethenyl]-5,7-difluoroquinoline?
The IUPAC name of 6-[1-[7-[4-[(2R)-butan-2-yl]-1H-pyrazol-5-yl]-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]ethenyl]-5,7-difluoroquinoline (CID 163302536) is 6-[1-[7-[4-[(2R)-butan-2-yl]-1H-pyrazol-5-yl]-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]ethenyl]-5,7-difluoroquinoline.
What is the SMILES notation for 6-[1-[7-[4-[(2R)-butan-2-yl]-1H-pyrazol-5-yl]-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]ethenyl]-5,7-difluoroquinoline?
The canonical SMILES for 6-[1-[7-[4-[(2R)-butan-2-yl]-1H-pyrazol-5-yl]-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]ethenyl]-5,7-difluoroquinoline is C=C(c1c(F)cc2ncccc2c1F)N1CCn2ncc(-c3[nH]ncc3[C@H](C)CC)c21.
What is the InChIKey of 6-[1-[7-[4-[(2R)-butan-2-yl]-1H-pyrazol-5-yl]-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]ethenyl]-5,7-difluoroquinoline?
The InChIKey is IYTLDZJCQUUNSP-CYBMUJFWSA-N. The full InChI is InChI=1S/C23H22F2N6/c1-4-13(2)16-11-27-29-22(16)17-12-28-31-9-8-30(23(17)31)14(3)20-18(24)10-19-15(21(20)25)6-5-7-26-19/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,27,29)/t13-/m1/s1.
What are the key properties of 6-[1-[7-[4-[(2R)-butan-2-yl]-1H-pyrazol-5-yl]-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]ethenyl]-5,7-difluoroquinoline?
6-[1-[7-[4-[(2R)-butan-2-yl]-1H-pyrazol-5-yl]-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]ethenyl]-5,7-difluoroquinoline has a molecular weight of 420.47 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[7-[4-[(2R)-butan-2-yl]-1H-pyrazol-5-yl]-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]ethenyl]-5,7-difluoroquinoline is sourced from PubChem (CID 163302536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).