4-(cyclopropylamino)-6-(1H-pyrazol-4-yl)-N-[2-(2H-thiopyran-4-yl)ethyl]quinoline-3-carboxamide

C23H23N5OS — CID 175227559

IUPAC4-(cyclopropylamino)-6-(1H-pyrazol-4-yl)-N-[2-(2H-thiopyran-4-yl)ethyl]quinoline-3-carboxamide
SMILESO=C(NCCC1=CCSC=C1)c1cnc2ccc(-c3cn[nH]c3)cc2c1NC1CC1
InChIInChI=1S/C23H23N5OS/c29-23(24-8-5-15-6-9-30-10-7-15)20-14-25-21-4-1-16(17-12-26-27-13-17)11-19(21)22(20)28-18-2-3-18/h1,4,6-7,9,11-14,18H,2-3,5,8,10H2,(H,24,29)(H,25,28)(H,26,27)
InChIKeyUULOIBYKSOVGSV-UHFFFAOYSA-N
MW417.54 g/mol
LogP4.51
Rot. Bonds7

About 4-(cyclopropylamino)-6-(1H-pyrazol-4-yl)-N-[2-(2H-thiopyran-4-yl)ethyl]quinoline-3-carboxamide

4-(cyclopropylamino)-6-(1H-pyrazol-4-yl)-N-[2-(2H-thiopyran-4-yl)ethyl]quinoline-3-carboxamide (PubChem CID 175227559) has the molecular formula C23H23N5OS and a molecular weight of 417.54 g/mol. Its IUPAC name is 4-(cyclopropylamino)-6-(1H-pyrazol-4-yl)-N-[2-(2H-thiopyran-4-yl)ethyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-6-(1H-pyrazol-4-yl)-N-[2-(2H-thiopyran-4-yl)ethyl]quinoline-3-carboxamide
PubChem CID175227559
Molecular FormulaC23H23N5OS
Molecular Weight417.54 g/mol
Exact Mass417.16
IUPAC Name4-(cyclopropylamino)-6-(1H-pyrazol-4-yl)-N-[2-(2H-thiopyran-4-yl)ethyl]quinoline-3-carboxamide
SMILESO=C(NCCC1=CCSC=C1)c1cnc2ccc(-c3cn[nH]c3)cc2c1NC1CC1
InChIInChI=1S/C23H23N5OS/c29-23(24-8-5-15-6-9-30-10-7-15)20-14-25-21-4-1-16(17-12-26-27-13-17)11-19(21)22(20)28-18-2-3-18/h1,4,6-7,9,11-14,18H,2-3,5,8,10H2,(H,24,29)(H,25,28)(H,26,27)
InChIKeyUULOIBYKSOVGSV-UHFFFAOYSA-N
XLogP4.51
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)-N-(2-pyridin-3-ylethyl)quinoline-3-carboxamide
CID 155781980
N-(3-acetamidocyclobutyl)-4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)quinoline-3-carboxamide
CID 155782016
N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(1-methylcyclopropyl)amino]-6-(1H-pyrazol-4-yl)quinoline-3-carboxamide
CID 164942219
2-chloro-N-cyclopropyl-5-(1H-pyrazol-4-yl)benzamide
CID 129283620
[4-[(4-aminocyclohexyl)amino]-6-(2-chloro-4-pyridinyl)quinolin-3-yl]-cyclopropylmethanone
CID 87121152
1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[4-(piperidin-1-ylmethyl)cyclohexyl]amino]quinolin-3-yl]ethanone
CID 148973669
[4-[(4-aminocyclohexyl)amino]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinolin-3-yl]-cyclopropylmethanone
CID 66716140
1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(4-hydroxyphenyl)quinolin-3-yl]ethanone;hydrochloride
CID 162327792
1-[6-(4-amino-3,5-dichlorophenyl)-4-[(4-methylcyclohexyl)amino]quinolin-3-yl]-2-methylpropan-1-one
CID 123254020
[6-bromo-4-[[4-(pyrrolidin-1-ylmethyl)cyclohexyl]amino]quinolin-3-yl]-cyclopropylmethanone
CID 66716832
[4-[[3-(cyclopropanecarbonyl)-6-(4-hydroxy-3-methoxyphenyl)quinolin-4-yl]amino]cyclohexyl]carbamic acid
CID 66716011
N-(3-cyclohexyloxypropyl)-3-(1H-pyrazol-4-yl)benzamide
CID 74240489

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-6-(1H-pyrazol-4-yl)-N-[2-(2H-thiopyran-4-yl)ethyl]quinoline-3-carboxamide?
The IUPAC name of 4-(cyclopropylamino)-6-(1H-pyrazol-4-yl)-N-[2-(2H-thiopyran-4-yl)ethyl]quinoline-3-carboxamide (CID 175227559) is 4-(cyclopropylamino)-6-(1H-pyrazol-4-yl)-N-[2-(2H-thiopyran-4-yl)ethyl]quinoline-3-carboxamide.
What is the SMILES notation for 4-(cyclopropylamino)-6-(1H-pyrazol-4-yl)-N-[2-(2H-thiopyran-4-yl)ethyl]quinoline-3-carboxamide?
The canonical SMILES for 4-(cyclopropylamino)-6-(1H-pyrazol-4-yl)-N-[2-(2H-thiopyran-4-yl)ethyl]quinoline-3-carboxamide is O=C(NCCC1=CCSC=C1)c1cnc2ccc(-c3cn[nH]c3)cc2c1NC1CC1.
What is the InChIKey of 4-(cyclopropylamino)-6-(1H-pyrazol-4-yl)-N-[2-(2H-thiopyran-4-yl)ethyl]quinoline-3-carboxamide?
The InChIKey is UULOIBYKSOVGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5OS/c29-23(24-8-5-15-6-9-30-10-7-15)20-14-25-21-4-1-16(17-12-26-27-13-17)11-19(21)22(20)28-18-2-3-18/h1,4,6-7,9,11-14,18H,2-3,5,8,10H2,(H,24,29)(H,25,28)(H,26,27).
What are the key properties of 4-(cyclopropylamino)-6-(1H-pyrazol-4-yl)-N-[2-(2H-thiopyran-4-yl)ethyl]quinoline-3-carboxamide?
4-(cyclopropylamino)-6-(1H-pyrazol-4-yl)-N-[2-(2H-thiopyran-4-yl)ethyl]quinoline-3-carboxamide has a molecular weight of 417.54 g/mol, XLogP of 4.51, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-6-(1H-pyrazol-4-yl)-N-[2-(2H-thiopyran-4-yl)ethyl]quinoline-3-carboxamide is sourced from PubChem (CID 175227559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).