N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide

C17H22FN5O2 — CID 44621015

IUPACN-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
SMILESCOc1ccc(-c2[nH]nc(NC(=O)CCCN3CCCC3)c2F)cn1
InChIInChI=1S/C17H22FN5O2/c1-25-14-7-6-12(11-19-14)16-15(18)17(22-21-16)20-13(24)5-4-10-23-8-2-3-9-23/h6-7,11H,2-5,8-10H2,1H3,(H2,20,21,22,24)
InChIKeyNNSUSEXIYSOEML-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.43
Rot. Bonds7

About N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide

N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide (PubChem CID 44621015) has the molecular formula C17H22FN5O2 and a molecular weight of 347.39 g/mol. Its IUPAC name is N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
PubChem CID44621015
Molecular FormulaC17H22FN5O2
Molecular Weight347.39 g/mol
Exact Mass347.18
IUPAC NameN-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
SMILESCOc1ccc(-c2[nH]nc(NC(=O)CCCN3CCCC3)c2F)cn1
InChIInChI=1S/C17H22FN5O2/c1-25-14-7-6-12(11-19-14)16-15(18)17(22-21-16)20-13(24)5-4-10-23-8-2-3-9-23/h6-7,11H,2-5,8-10H2,1H3,(H2,20,21,22,24)
InChIKeyNNSUSEXIYSOEML-UHFFFAOYSA-N
XLogP2.43
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S,3R)-3-[3-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] 2,2-dimethylazetidine-1-carboxylate
CID 154616438
[(1S,3R)-3-[3-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(4-hydroxycyclohexyl)carbamate
CID 154616638
[(1R,3S)-3-[3-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] 2,2-dimethylazetidine-1-carboxylate
CID 154616756
[(1R,3S)-3-[3-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S,3R)-3-cyano-2-methylazetidine-1-carboxylate
CID 154616808
[(1R,3S)-3-[3-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[2-(hydroxymethyl)butyl]carbamate
CID 155040611
N-[5-(4-Methoxy-phenyl)-2H-pyrazol-3-yl]-4-piperidin-1-yl-butyramide
CID 25029711
[(1R,3S)-3-[3-[[2-(2-methoxy-4-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 154616797
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]urea
CID 71459745
US10112929, Example 82
CID 122515864
US10988462, Example 5
CID 146226307
US10988462, Example 28
CID 146226310
US11014911, Example 21
CID 155040820

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
The IUPAC name of N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide (CID 44621015) is N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide is COc1ccc(-c2[nH]nc(NC(=O)CCCN3CCCC3)c2F)cn1.
What is the InChIKey of N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
The InChIKey is NNSUSEXIYSOEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O2/c1-25-14-7-6-12(11-19-14)16-15(18)17(22-21-16)20-13(24)5-4-10-23-8-2-3-9-23/h6-7,11H,2-5,8-10H2,1H3,(H2,20,21,22,24).
What are the key properties of N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide has a molecular weight of 347.39 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 44621015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).