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

C22H23F2N5O — CID 126740678

IUPAC2-[6-[cyclopropylmethyl(methyl)amino]-3-pyridinyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESCN(CC1CC1)c1ccc(CC(=O)Nc2ccn(Cc3ccc(F)c(F)c3)n2)cn1
InChIInChI=1S/C22H23F2N5O/c1-28(13-15-2-3-15)21-7-5-16(12-25-21)11-22(30)26-20-8-9-29(27-20)14-17-4-6-18(23)19(24)10-17/h4-10,12,15H,2-3,11,13-14H2,1H3,(H,26,27,30)
InChIKeyWATGHKCGXIOHID-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.63
Rot. Bonds8

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

2-[6-[cyclopropylmethyl(methyl)amino]-3-pyridinyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide (PubChem CID 126740678) has the molecular formula C22H23F2N5O and a molecular weight of 411.46 g/mol. Its IUPAC name is 2-[6-[cyclopropylmethyl(methyl)amino]-3-pyridinyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[6-[cyclopropylmethyl(methyl)amino]-3-pyridinyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide
PubChem CID126740678
Molecular FormulaC22H23F2N5O
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC Name2-[6-[cyclopropylmethyl(methyl)amino]-3-pyridinyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESCN(CC1CC1)c1ccc(CC(=O)Nc2ccn(Cc3ccc(F)c(F)c3)n2)cn1
InChIInChI=1S/C22H23F2N5O/c1-28(13-15-2-3-15)21-7-5-16(12-25-21)11-22(30)26-20-8-9-29(27-20)14-17-4-6-18(23)19(24)10-17/h4-10,12,15H,2-3,11,13-14H2,1H3,(H,26,27,30)
InChIKeyWATGHKCGXIOHID-UHFFFAOYSA-N
XLogP3.63
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[cyclopropylmethyl(methyl)amino]-3-pyridinyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-[6-[cyclopropylmethyl(methyl)amino]-3-pyridinyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide (CID 126740678) is 2-[6-[cyclopropylmethyl(methyl)amino]-3-pyridinyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-[6-[cyclopropylmethyl(methyl)amino]-3-pyridinyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-[6-[cyclopropylmethyl(methyl)amino]-3-pyridinyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide is CN(CC1CC1)c1ccc(CC(=O)Nc2ccn(Cc3ccc(F)c(F)c3)n2)cn1.
What is the InChIKey of 2-[6-[cyclopropylmethyl(methyl)amino]-3-pyridinyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide?
The InChIKey is WATGHKCGXIOHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O/c1-28(13-15-2-3-15)21-7-5-16(12-25-21)11-22(30)26-20-8-9-29(27-20)14-17-4-6-18(23)19(24)10-17/h4-10,12,15H,2-3,11,13-14H2,1H3,(H,26,27,30).
What are the key properties of 2-[6-[cyclopropylmethyl(methyl)amino]-3-pyridinyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide?
2-[6-[cyclopropylmethyl(methyl)amino]-3-pyridinyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide has a molecular weight of 411.46 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[cyclopropylmethyl(methyl)amino]-3-pyridinyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 126740678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).