1-(cyclopentylmethyl)-5-fluoro-4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]pyridin-2-one

C19H28FN5O — CID 169095701

IUPAC1-(cyclopentylmethyl)-5-fluoro-4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]pyridin-2-one
SMILESCNCCN(C)Cc1cn[nH]c1-c1cc(=O)n(CC2CCCC2)cc1F
InChIInChI=1S/C19H28FN5O/c1-21-7-8-24(2)12-15-10-22-23-19(15)16-9-18(26)25(13-17(16)20)11-14-5-3-4-6-14/h9-10,13-14,21H,3-8,11-12H2,1-2H3,(H,22,23)
InChIKeyBHVDUABZBQAKGR-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.22
Rot. Bonds8

About 1-(cyclopentylmethyl)-5-fluoro-4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]pyridin-2-one

1-(cyclopentylmethyl)-5-fluoro-4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]pyridin-2-one (PubChem CID 169095701) has the molecular formula C19H28FN5O and a molecular weight of 361.47 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-5-fluoro-4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-5-fluoro-4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]pyridin-2-one
PubChem CID169095701
Molecular FormulaC19H28FN5O
Molecular Weight361.47 g/mol
Exact Mass361.23
IUPAC Name1-(cyclopentylmethyl)-5-fluoro-4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]pyridin-2-one
SMILESCNCCN(C)Cc1cn[nH]c1-c1cc(=O)n(CC2CCCC2)cc1F
InChIInChI=1S/C19H28FN5O/c1-21-7-8-24(2)12-15-10-22-23-19(15)16-9-18(26)25(13-17(16)20)11-14-5-3-4-6-14/h9-10,13-14,21H,3-8,11-12H2,1-2H3,(H,22,23)
InChIKeyBHVDUABZBQAKGR-UHFFFAOYSA-N
XLogP2.22
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-5-fluoro-4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]pyridin-2-one?
The IUPAC name of 1-(cyclopentylmethyl)-5-fluoro-4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]pyridin-2-one (CID 169095701) is 1-(cyclopentylmethyl)-5-fluoro-4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]pyridin-2-one.
What is the SMILES notation for 1-(cyclopentylmethyl)-5-fluoro-4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]pyridin-2-one?
The canonical SMILES for 1-(cyclopentylmethyl)-5-fluoro-4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]pyridin-2-one is CNCCN(C)Cc1cn[nH]c1-c1cc(=O)n(CC2CCCC2)cc1F.
What is the InChIKey of 1-(cyclopentylmethyl)-5-fluoro-4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]pyridin-2-one?
The InChIKey is BHVDUABZBQAKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN5O/c1-21-7-8-24(2)12-15-10-22-23-19(15)16-9-18(26)25(13-17(16)20)11-14-5-3-4-6-14/h9-10,13-14,21H,3-8,11-12H2,1-2H3,(H,22,23).
What are the key properties of 1-(cyclopentylmethyl)-5-fluoro-4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]pyridin-2-one?
1-(cyclopentylmethyl)-5-fluoro-4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]pyridin-2-one has a molecular weight of 361.47 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-5-fluoro-4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]pyridin-2-one is sourced from PubChem (CID 169095701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).