N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]acetamide

C21H19F4N5O — CID 126740597

IUPACN-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]acetamide
SMILESO=C(Cc1ccc(N2CCC(F)(F)C2)nc1)Nc1ccn(Cc2ccc(F)c(F)c2)n1
InChIInChI=1S/C21H19F4N5O/c22-16-3-1-15(9-17(16)23)12-30-7-5-18(28-30)27-20(31)10-14-2-4-19(26-11-14)29-8-6-21(24,25)13-29/h1-5,7,9,11H,6,8,10,12-13H2,(H,27,28,31)
InChIKeyWRNOOHMVZMXYDO-UHFFFAOYSA-N
MW433.41 g/mol
LogP3.63
Rot. Bonds6

About N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]acetamide

N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]acetamide (PubChem CID 126740597) has the molecular formula C21H19F4N5O and a molecular weight of 433.41 g/mol. Its IUPAC name is N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]acetamide
PubChem CID126740597
Molecular FormulaC21H19F4N5O
Molecular Weight433.41 g/mol
Exact Mass433.15
IUPAC NameN-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]acetamide
SMILESO=C(Cc1ccc(N2CCC(F)(F)C2)nc1)Nc1ccn(Cc2ccc(F)c(F)c2)n1
InChIInChI=1S/C21H19F4N5O/c22-16-3-1-15(9-17(16)23)12-30-7-5-18(28-30)27-20(31)10-14-2-4-19(26-11-14)29-8-6-21(24,25)13-29/h1-5,7,9,11H,6,8,10,12-13H2,(H,27,28,31)
InChIKeyWRNOOHMVZMXYDO-UHFFFAOYSA-N
XLogP3.63
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]acetamide?
The IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]acetamide (CID 126740597) is N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]acetamide?
The canonical SMILES for N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]acetamide is O=C(Cc1ccc(N2CCC(F)(F)C2)nc1)Nc1ccn(Cc2ccc(F)c(F)c2)n1.
What is the InChIKey of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]acetamide?
The InChIKey is WRNOOHMVZMXYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F4N5O/c22-16-3-1-15(9-17(16)23)12-30-7-5-18(28-30)27-20(31)10-14-2-4-19(26-11-14)29-8-6-21(24,25)13-29/h1-5,7,9,11H,6,8,10,12-13H2,(H,27,28,31).
What are the key properties of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]acetamide?
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]acetamide has a molecular weight of 433.41 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 126740597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).