[(3R)-3-fluoropyrrolidin-1-yl]-[1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]methanone

C19H24FN5O — CID 118450394

IUPAC[(3R)-3-fluoropyrrolidin-1-yl]-[1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]methanone
SMILESCc1cnn(-c2ccncc2N2CCC(C(=O)N3CC[C@@H](F)C3)CC2)c1
InChIInChI=1S/C19H24FN5O/c1-14-10-22-25(12-14)17-2-6-21-11-18(17)23-7-3-15(4-8-23)19(26)24-9-5-16(20)13-24/h2,6,10-12,15-16H,3-5,7-9,13H2,1H3/t16-/m1/s1
InChIKeyQVTMVOBQAZQERE-MRXNPFEDSA-N
MW357.43 g/mol
LogP2.36
Rot. Bonds3

About [(3R)-3-fluoropyrrolidin-1-yl]-[1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]methanone

[(3R)-3-fluoropyrrolidin-1-yl]-[1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]methanone (PubChem CID 118450394) has the molecular formula C19H24FN5O and a molecular weight of 357.43 g/mol. Its IUPAC name is [(3R)-3-fluoropyrrolidin-1-yl]-[1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-fluoropyrrolidin-1-yl]-[1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]methanone
PubChem CID118450394
Molecular FormulaC19H24FN5O
Molecular Weight357.43 g/mol
Exact Mass357.20
IUPAC Name[(3R)-3-fluoropyrrolidin-1-yl]-[1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]methanone
SMILESCc1cnn(-c2ccncc2N2CCC(C(=O)N3CC[C@@H](F)C3)CC2)c1
InChIInChI=1S/C19H24FN5O/c1-14-10-22-25(12-14)17-2-6-21-11-18(17)23-7-3-15(4-8-23)19(26)24-9-5-16(20)13-24/h2,6,10-12,15-16H,3-5,7-9,13H2,1H3/t16-/m1/s1
InChIKeyQVTMVOBQAZQERE-MRXNPFEDSA-N
XLogP2.36
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-fluoropyrrolidin-1-yl]-[1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]methanone?
The IUPAC name of [(3R)-3-fluoropyrrolidin-1-yl]-[1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]methanone (CID 118450394) is [(3R)-3-fluoropyrrolidin-1-yl]-[1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]methanone.
What is the SMILES notation for [(3R)-3-fluoropyrrolidin-1-yl]-[1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]methanone?
The canonical SMILES for [(3R)-3-fluoropyrrolidin-1-yl]-[1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]methanone is Cc1cnn(-c2ccncc2N2CCC(C(=O)N3CC[C@@H](F)C3)CC2)c1.
What is the InChIKey of [(3R)-3-fluoropyrrolidin-1-yl]-[1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]methanone?
The InChIKey is QVTMVOBQAZQERE-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24FN5O/c1-14-10-22-25(12-14)17-2-6-21-11-18(17)23-7-3-15(4-8-23)19(26)24-9-5-16(20)13-24/h2,6,10-12,15-16H,3-5,7-9,13H2,1H3/t16-/m1/s1.
What are the key properties of [(3R)-3-fluoropyrrolidin-1-yl]-[1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]methanone?
[(3R)-3-fluoropyrrolidin-1-yl]-[1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]methanone has a molecular weight of 357.43 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-fluoropyrrolidin-1-yl]-[1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]methanone is sourced from PubChem (CID 118450394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).