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

C18H24FN5O2 — CID 45107225

IUPACN-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-pyrrolidin-1-ylbutanamide
SMILESCOc1ccc(-c2[nH]nc(NC(=O)CC(C)CN3CCCC3)c2F)cn1
InChIInChI=1S/C18H24FN5O2/c1-12(11-24-7-3-4-8-24)9-14(25)21-18-16(19)17(22-23-18)13-5-6-15(26-2)20-10-13/h5-6,10,12H,3-4,7-9,11H2,1-2H3,(H2,21,22,23,25)
InChIKeyARIYVOMSSBTZHJ-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.68
Rot. Bonds7

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

N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-pyrrolidin-1-ylbutanamide (PubChem CID 45107225) has the molecular formula C18H24FN5O2 and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-pyrrolidin-1-ylbutanamide
PubChem CID45107225
Molecular FormulaC18H24FN5O2
Molecular Weight361.42 g/mol
Exact Mass361.19
IUPAC NameN-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-pyrrolidin-1-ylbutanamide
SMILESCOc1ccc(-c2[nH]nc(NC(=O)CC(C)CN3CCCC3)c2F)cn1
InChIInChI=1S/C18H24FN5O2/c1-12(11-24-7-3-4-8-24)9-14(25)21-18-16(19)17(22-23-18)13-5-6-15(26-2)20-10-13/h5-6,10,12H,3-4,7-9,11H2,1-2H3,(H2,21,22,23,25)
InChIKeyARIYVOMSSBTZHJ-UHFFFAOYSA-N
XLogP2.68
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.68
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 2
CID 139570167
US10988462, Example 3
CID 139570271
US10988462, Example 7
CID 146226303

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-pyrrolidin-1-ylbutanamide?
The IUPAC name of N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-pyrrolidin-1-ylbutanamide (CID 45107225) is N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-pyrrolidin-1-ylbutanamide is COc1ccc(-c2[nH]nc(NC(=O)CC(C)CN3CCCC3)c2F)cn1.
What is the InChIKey of N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-pyrrolidin-1-ylbutanamide?
The InChIKey is ARIYVOMSSBTZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O2/c1-12(11-24-7-3-4-8-24)9-14(25)21-18-16(19)17(22-23-18)13-5-6-15(26-2)20-10-13/h5-6,10,12H,3-4,7-9,11H2,1-2H3,(H2,21,22,23,25).
What are the key properties of N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-pyrrolidin-1-ylbutanamide?
N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-pyrrolidin-1-ylbutanamide has a molecular weight of 361.42 g/mol, XLogP of 2.68, 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]-3-methyl-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 45107225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).