[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-(furo[2,3-b]pyridin-2-ylmethyl)piperidin-1-yl]methanone

C24H23FN4O2 — CID 66968128

IUPAC[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-(furo[2,3-b]pyridin-2-ylmethyl)piperidin-1-yl]methanone
SMILESCn1cc(-c2ccc(F)cc2)c(C(=O)N2CCCCC2Cc2cc3cccnc3o2)n1
InChIInChI=1S/C24H23FN4O2/c1-28-15-21(16-7-9-18(25)10-8-16)22(27-28)24(30)29-12-3-2-6-19(29)14-20-13-17-5-4-11-26-23(17)31-20/h4-5,7-11,13,15,19H,2-3,6,12,14H2,1H3
InChIKeyMKHFGBFHJFZSGY-UHFFFAOYSA-N
MW418.47 g/mol
LogP4.60
Rot. Bonds4

About [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-(furo[2,3-b]pyridin-2-ylmethyl)piperidin-1-yl]methanone

[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-(furo[2,3-b]pyridin-2-ylmethyl)piperidin-1-yl]methanone (PubChem CID 66968128) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-(furo[2,3-b]pyridin-2-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-(furo[2,3-b]pyridin-2-ylmethyl)piperidin-1-yl]methanone
PubChem CID66968128
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-(furo[2,3-b]pyridin-2-ylmethyl)piperidin-1-yl]methanone
SMILESCn1cc(-c2ccc(F)cc2)c(C(=O)N2CCCCC2Cc2cc3cccnc3o2)n1
InChIInChI=1S/C24H23FN4O2/c1-28-15-21(16-7-9-18(25)10-8-16)22(27-28)24(30)29-12-3-2-6-19(29)14-20-13-17-5-4-11-26-23(17)31-20/h4-5,7-11,13,15,19H,2-3,6,12,14H2,1H3
InChIKeyMKHFGBFHJFZSGY-UHFFFAOYSA-N
XLogP4.60
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-(furo[2,3-b]pyridin-2-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-(furo[2,3-b]pyridin-2-ylmethyl)piperidin-1-yl]methanone (CID 66968128) is [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-(furo[2,3-b]pyridin-2-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-(furo[2,3-b]pyridin-2-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-(furo[2,3-b]pyridin-2-ylmethyl)piperidin-1-yl]methanone is Cn1cc(-c2ccc(F)cc2)c(C(=O)N2CCCCC2Cc2cc3cccnc3o2)n1.
What is the InChIKey of [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-(furo[2,3-b]pyridin-2-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is MKHFGBFHJFZSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-28-15-21(16-7-9-18(25)10-8-16)22(27-28)24(30)29-12-3-2-6-19(29)14-20-13-17-5-4-11-26-23(17)31-20/h4-5,7-11,13,15,19H,2-3,6,12,14H2,1H3.
What are the key properties of [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-(furo[2,3-b]pyridin-2-ylmethyl)piperidin-1-yl]methanone?
[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-(furo[2,3-b]pyridin-2-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 418.47 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-(furo[2,3-b]pyridin-2-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 66968128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).