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

C18H24FN5O2 — CID 45107224

IUPACN-[4-fluoro-5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-pyrrolidin-1-ylbutanamide
SMILESCOc1cncc(-c2[nH]nc(NC(=O)CC(C)CN3CCCC3)c2F)c1
InChIInChI=1S/C18H24FN5O2/c1-12(11-24-5-3-4-6-24)7-15(25)21-18-16(19)17(22-23-18)13-8-14(26-2)10-20-9-13/h8-10,12H,3-7,11H2,1-2H3,(H2,21,22,23,25)
InChIKeyGISBBEBAHUKVSM-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.68
Rot. Bonds7

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

N-[4-fluoro-5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-pyrrolidin-1-ylbutanamide (PubChem CID 45107224) has the molecular formula C18H24FN5O2 and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[4-fluoro-5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[4-fluoro-5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-pyrrolidin-1-ylbutanamide
PubChem CID45107224
Molecular FormulaC18H24FN5O2
Molecular Weight361.42 g/mol
Exact Mass361.19
IUPAC NameN-[4-fluoro-5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-pyrrolidin-1-ylbutanamide
SMILESCOc1cncc(-c2[nH]nc(NC(=O)CC(C)CN3CCCC3)c2F)c1
InChIInChI=1S/C18H24FN5O2/c1-12(11-24-5-3-4-6-24)7-15(25)21-18-16(19)17(22-23-18)13-8-14(26-2)10-20-9-13/h8-10,12H,3-7,11H2,1-2H3,(H2,21,22,23,25)
InChIKeyGISBBEBAHUKVSM-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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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-pyrrolidin-1-ylbutanamide?
The IUPAC name of N-[4-fluoro-5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-pyrrolidin-1-ylbutanamide (CID 45107224) is N-[4-fluoro-5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for N-[4-fluoro-5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for N-[4-fluoro-5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-pyrrolidin-1-ylbutanamide is COc1cncc(-c2[nH]nc(NC(=O)CC(C)CN3CCCC3)c2F)c1.
What is the InChIKey of N-[4-fluoro-5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-pyrrolidin-1-ylbutanamide?
The InChIKey is GISBBEBAHUKVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O2/c1-12(11-24-5-3-4-6-24)7-15(25)21-18-16(19)17(22-23-18)13-8-14(26-2)10-20-9-13/h8-10,12H,3-7,11H2,1-2H3,(H2,21,22,23,25).
What are the key properties of N-[4-fluoro-5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-pyrrolidin-1-ylbutanamide?
N-[4-fluoro-5-(5-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-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 45107224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).