N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-[7-(1-methylpyrazol-4-yl)quinolin-3-yl]phenyl]acetamide

C29H30N6O — CID 162395302

IUPACN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-[7-(1-methylpyrazol-4-yl)quinolin-3-yl]phenyl]acetamide
SMILESCn1cc(-c2ccc3cc(-c4ccc(CC(=O)Nc5cc(C(C)(C)C)nn5C)cc4)cnc3c2)cn1
InChIInChI=1S/C29H30N6O/c1-29(2,3)26-15-27(35(5)33-26)32-28(36)12-19-6-8-20(9-7-19)23-13-22-11-10-21(14-25(22)30-16-23)24-17-31-34(4)18-24/h6-11,13-18H,12H2,1-5H3,(H,32,36)
InChIKeyGWSOVEKHFSFSLB-UHFFFAOYSA-N
MW478.60 g/mol
LogP5.51
Rot. Bonds5

About N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-[7-(1-methylpyrazol-4-yl)quinolin-3-yl]phenyl]acetamide

N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-[7-(1-methylpyrazol-4-yl)quinolin-3-yl]phenyl]acetamide (PubChem CID 162395302) has the molecular formula C29H30N6O and a molecular weight of 478.60 g/mol. Its IUPAC name is N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-[7-(1-methylpyrazol-4-yl)quinolin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-[7-(1-methylpyrazol-4-yl)quinolin-3-yl]phenyl]acetamide
PubChem CID162395302
Molecular FormulaC29H30N6O
Molecular Weight478.60 g/mol
Exact Mass478.25
IUPAC NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-[7-(1-methylpyrazol-4-yl)quinolin-3-yl]phenyl]acetamide
SMILESCn1cc(-c2ccc3cc(-c4ccc(CC(=O)Nc5cc(C(C)(C)C)nn5C)cc4)cnc3c2)cn1
InChIInChI=1S/C29H30N6O/c1-29(2,3)26-15-27(35(5)33-26)32-28(36)12-19-6-8-20(9-7-19)23-13-22-11-10-21(14-25(22)30-16-23)24-17-31-34(4)18-24/h6-11,13-18H,12H2,1-5H3,(H,32,36)
InChIKeyGWSOVEKHFSFSLB-UHFFFAOYSA-N
XLogP5.51
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide
CID 68622762
N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-2-pyridin-4-ylacetamide
CID 138590612
2-[4-(2-aminophenyl)pyrazol-1-yl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 46984542
2-[4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]acetic acid
CID 118559083
2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]acetamide
CID 138589815
methyl 3-(1-methylpyrazol-4-yl)quinoline-6-carboxylate
CID 141370295
N-[3-(1,1-difluoroethyl)phenyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 160935018
1-(1-tert-butylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 158989738
7-(4-ethylphenyl)-3-[4-(4-fluorophenyl)phenyl]quinoline
CID 170294733
N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-(2,2,5,5-tetradeuteriopyrrolidin-1-yl)acetamide
CID 138587907
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide
CID 47057295
2-(diethylamino)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
CID 138590694

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-[7-(1-methylpyrazol-4-yl)quinolin-3-yl]phenyl]acetamide?
The IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-[7-(1-methylpyrazol-4-yl)quinolin-3-yl]phenyl]acetamide (CID 162395302) is N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-[7-(1-methylpyrazol-4-yl)quinolin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-[7-(1-methylpyrazol-4-yl)quinolin-3-yl]phenyl]acetamide?
The canonical SMILES for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-[7-(1-methylpyrazol-4-yl)quinolin-3-yl]phenyl]acetamide is Cn1cc(-c2ccc3cc(-c4ccc(CC(=O)Nc5cc(C(C)(C)C)nn5C)cc4)cnc3c2)cn1.
What is the InChIKey of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-[7-(1-methylpyrazol-4-yl)quinolin-3-yl]phenyl]acetamide?
The InChIKey is GWSOVEKHFSFSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O/c1-29(2,3)26-15-27(35(5)33-26)32-28(36)12-19-6-8-20(9-7-19)23-13-22-11-10-21(14-25(22)30-16-23)24-17-31-34(4)18-24/h6-11,13-18H,12H2,1-5H3,(H,32,36).
What are the key properties of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-[7-(1-methylpyrazol-4-yl)quinolin-3-yl]phenyl]acetamide?
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-[7-(1-methylpyrazol-4-yl)quinolin-3-yl]phenyl]acetamide has a molecular weight of 478.60 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-[7-(1-methylpyrazol-4-yl)quinolin-3-yl]phenyl]acetamide is sourced from PubChem (CID 162395302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).