[6-bromo-4-[(1-methylpiperidin-4-yl)-(1H-pyrazol-4-yl)amino]quinolin-3-yl]-cyclopropylmethanone

C22H24BrN5O — CID 123770582

IUPAC[6-bromo-4-[(1-methylpiperidin-4-yl)-(1H-pyrazol-4-yl)amino]quinolin-3-yl]-cyclopropylmethanone
SMILESCN1CCC(N(c2cn[nH]c2)c2c(C(=O)C3CC3)cnc3ccc(Br)cc23)CC1
InChIInChI=1S/C22H24BrN5O/c1-27-8-6-16(7-9-27)28(17-11-25-26-12-17)21-18-10-15(23)4-5-20(18)24-13-19(21)22(29)14-2-3-14/h4-5,10-14,16H,2-3,6-9H2,1H3,(H,25,26)
InChIKeyNLZHRFXWNHMFKX-UHFFFAOYSA-N
MW454.37 g/mol
LogP4.55
Rot. Bonds5

About [6-bromo-4-[(1-methylpiperidin-4-yl)-(1H-pyrazol-4-yl)amino]quinolin-3-yl]-cyclopropylmethanone

[6-bromo-4-[(1-methylpiperidin-4-yl)-(1H-pyrazol-4-yl)amino]quinolin-3-yl]-cyclopropylmethanone (PubChem CID 123770582) has the molecular formula C22H24BrN5O and a molecular weight of 454.37 g/mol. Its IUPAC name is [6-bromo-4-[(1-methylpiperidin-4-yl)-(1H-pyrazol-4-yl)amino]quinolin-3-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[6-bromo-4-[(1-methylpiperidin-4-yl)-(1H-pyrazol-4-yl)amino]quinolin-3-yl]-cyclopropylmethanone
PubChem CID123770582
Molecular FormulaC22H24BrN5O
Molecular Weight454.37 g/mol
Exact Mass453.12
IUPAC Name[6-bromo-4-[(1-methylpiperidin-4-yl)-(1H-pyrazol-4-yl)amino]quinolin-3-yl]-cyclopropylmethanone
SMILESCN1CCC(N(c2cn[nH]c2)c2c(C(=O)C3CC3)cnc3ccc(Br)cc23)CC1
InChIInChI=1S/C22H24BrN5O/c1-27-8-6-16(7-9-27)28(17-11-25-26-12-17)21-18-10-15(23)4-5-20(18)24-13-19(21)22(29)14-2-3-14/h4-5,10-14,16H,2-3,6-9H2,1H3,(H,25,26)
InChIKeyNLZHRFXWNHMFKX-UHFFFAOYSA-N
XLogP4.55
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.37
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-bromo-4-[(1-methylpiperidin-4-yl)-(1H-pyrazol-4-yl)amino]quinolin-3-yl]-cyclopropylmethanone with MolForge

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Related Compounds

6-bromo-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-2-phenyl-4-quinolinecarboxamide
CID 995077
4-[(6-bromoquinolin-4-yl)amino]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide
CID 137631588
1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)-1,5-naphthyridin-3-yl]ethanone
CID 71666021
1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(1H-pyrazol-4-yl)-1,5-naphthyridin-3-yl]ethanone
CID 71667931
{4-[trans-4-Aminocyclohexylamino]-6-(1H-pyrazol-4-yl)quinolin-3-yl}(cyclopropyl)methanone
CID 86692919
1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(1H-pyrazol-4-yl)quinolin-3-yl]ethanone
CID 89758169
6-bromo-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-phenylquinoline-4-carboxamide
CID 1226115
(6-bromo-4-((trans-4-(((R)-3-fluoropyrrolidin-1-yl)methyl)cyclohexyl)amino) quinolin-3-yl)(cyclopropyl)methanone
CID 86692855
(R)-(6-bromo-4-(4-(3-fluoropyrrolidin-1-yl)cyclohexylamino)quinolin-3-yl)(cyclopropyl)methanone
CID 86692887
(6-Bromo-4-(4-(3,3-difluoropyrrolidin-1-yl)cyclohexylamino)quinolin-3-yl)(cyclopropyl)methanone
CID 86692888
[6-Bromo-4-[[4-(3-fluoropyrrolidin-1-yl)cyclohexyl]amino]quinolin-3-yl]-cyclopropylmethanone
CID 89753723
6-bromo-N-[3,5-dimethyl-1-(pyridin-4-ylmethyl)pyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-carboxamide
CID 118170929

Frequently Asked Questions

What is the IUPAC name of [6-bromo-4-[(1-methylpiperidin-4-yl)-(1H-pyrazol-4-yl)amino]quinolin-3-yl]-cyclopropylmethanone?
The IUPAC name of [6-bromo-4-[(1-methylpiperidin-4-yl)-(1H-pyrazol-4-yl)amino]quinolin-3-yl]-cyclopropylmethanone (CID 123770582) is [6-bromo-4-[(1-methylpiperidin-4-yl)-(1H-pyrazol-4-yl)amino]quinolin-3-yl]-cyclopropylmethanone.
What is the SMILES notation for [6-bromo-4-[(1-methylpiperidin-4-yl)-(1H-pyrazol-4-yl)amino]quinolin-3-yl]-cyclopropylmethanone?
The canonical SMILES for [6-bromo-4-[(1-methylpiperidin-4-yl)-(1H-pyrazol-4-yl)amino]quinolin-3-yl]-cyclopropylmethanone is CN1CCC(N(c2cn[nH]c2)c2c(C(=O)C3CC3)cnc3ccc(Br)cc23)CC1.
What is the InChIKey of [6-bromo-4-[(1-methylpiperidin-4-yl)-(1H-pyrazol-4-yl)amino]quinolin-3-yl]-cyclopropylmethanone?
The InChIKey is NLZHRFXWNHMFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrN5O/c1-27-8-6-16(7-9-27)28(17-11-25-26-12-17)21-18-10-15(23)4-5-20(18)24-13-19(21)22(29)14-2-3-14/h4-5,10-14,16H,2-3,6-9H2,1H3,(H,25,26).
What are the key properties of [6-bromo-4-[(1-methylpiperidin-4-yl)-(1H-pyrazol-4-yl)amino]quinolin-3-yl]-cyclopropylmethanone?
[6-bromo-4-[(1-methylpiperidin-4-yl)-(1H-pyrazol-4-yl)amino]quinolin-3-yl]-cyclopropylmethanone has a molecular weight of 454.37 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-4-[(1-methylpiperidin-4-yl)-(1H-pyrazol-4-yl)amino]quinolin-3-yl]-cyclopropylmethanone is sourced from PubChem (CID 123770582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).