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

C19H26FN5O2 — CID 44621148

IUPACN-[4-fluoro-5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-pyrrolidin-1-ylbutanamide
SMILESCOc1cncc(-c2[nH]nc(NC(=O)CC(C)(C)CN3CCCC3)c2F)c1
InChIInChI=1S/C19H26FN5O2/c1-19(2,12-25-6-4-5-7-25)9-15(26)22-18-16(20)17(23-24-18)13-8-14(27-3)11-21-10-13/h8,10-11H,4-7,9,12H2,1-3H3,(H2,22,23,24,26)
InChIKeyMPVVAMKKSJIFMY-UHFFFAOYSA-N
MW375.45 g/mol
LogP3.07
Rot. Bonds7

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

N-[4-fluoro-5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-pyrrolidin-1-ylbutanamide (PubChem CID 44621148) has the molecular formula C19H26FN5O2 and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[4-fluoro-5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[4-fluoro-5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-pyrrolidin-1-ylbutanamide
PubChem CID44621148
Molecular FormulaC19H26FN5O2
Molecular Weight375.45 g/mol
Exact Mass375.21
IUPAC NameN-[4-fluoro-5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-pyrrolidin-1-ylbutanamide
SMILESCOc1cncc(-c2[nH]nc(NC(=O)CC(C)(C)CN3CCCC3)c2F)c1
InChIInChI=1S/C19H26FN5O2/c1-19(2,12-25-6-4-5-7-25)9-15(26)22-18-16(20)17(23-24-18)13-8-14(27-3)11-21-10-13/h8,10-11H,4-7,9,12H2,1-3H3,(H2,22,23,24,26)
InChIKeyMPVVAMKKSJIFMY-UHFFFAOYSA-N
XLogP3.07
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.07
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]-3,3-dimethyl-4-pyrrolidin-1-ylbutanamide?
The IUPAC name of N-[4-fluoro-5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-pyrrolidin-1-ylbutanamide (CID 44621148) is N-[4-fluoro-5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for N-[4-fluoro-5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for N-[4-fluoro-5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-pyrrolidin-1-ylbutanamide is COc1cncc(-c2[nH]nc(NC(=O)CC(C)(C)CN3CCCC3)c2F)c1.
What is the InChIKey of N-[4-fluoro-5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-pyrrolidin-1-ylbutanamide?
The InChIKey is MPVVAMKKSJIFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5O2/c1-19(2,12-25-6-4-5-7-25)9-15(26)22-18-16(20)17(23-24-18)13-8-14(27-3)11-21-10-13/h8,10-11H,4-7,9,12H2,1-3H3,(H2,22,23,24,26).
What are the key properties of N-[4-fluoro-5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-pyrrolidin-1-ylbutanamide?
N-[4-fluoro-5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-pyrrolidin-1-ylbutanamide has a molecular weight of 375.45 g/mol, XLogP of 3.07, 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]-3,3-dimethyl-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 44621148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).