N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylpiperidine-1-carboxamide

C23H27N5O3 — CID 138559178

IUPACN-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylpiperidine-1-carboxamide
SMILESCc1ncc(-c2ccc3cnc(NC(=O)N4CCC(N5CCOCC5)CC4)cc3c2)o1
InChIInChI=1S/C23H27N5O3/c1-16-24-15-21(31-16)17-2-3-18-14-25-22(13-19(18)12-17)26-23(29)28-6-4-20(5-7-28)27-8-10-30-11-9-27/h2-3,12-15,20H,4-11H2,1H3,(H,25,26,29)
InChIKeyWIIKMQHPXVONCU-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.53
Rot. Bonds3

About N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylpiperidine-1-carboxamide

N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylpiperidine-1-carboxamide (PubChem CID 138559178) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylpiperidine-1-carboxamide
PubChem CID138559178
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC NameN-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylpiperidine-1-carboxamide
SMILESCc1ncc(-c2ccc3cnc(NC(=O)N4CCC(N5CCOCC5)CC4)cc3c2)o1
InChIInChI=1S/C23H27N5O3/c1-16-24-15-21(31-16)17-2-3-18-14-25-22(13-19(18)12-17)26-23(29)28-6-4-20(5-7-28)27-8-10-30-11-9-27/h2-3,12-15,20H,4-11H2,1H3,(H,25,26,29)
InChIKeyWIIKMQHPXVONCU-UHFFFAOYSA-N
XLogP3.53
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylpiperidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[8-methyl-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide
CID 138579956
(1R,5S)-3-(2,2-difluoroethylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 138580317
4-amino-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide
CID 138559188
N-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide
CID 138588296
4-amino-N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]piperidine-1-carboxamide
CID 138605092
4-(4-methylpiperazin-1-yl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)piperidine-1-carboxamide
CID 138606080
N-[7-(2-methyl-1,3-oxazol-5-yl)quinazolin-2-yl]-3-morpholin-4-ylcyclobutane-1-carboxamide
CID 138590666
N-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]morpholine-4-carboxamide
CID 138559189
4-(1,3-difluoropropan-2-ylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]piperidine-1-carboxamide
CID 138588241
4-(2-fluoroethylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]piperidine-1-carboxamide
CID 138588499
4-(1,3-difluoropropan-2-ylamino)-N-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]piperidine-1-carboxamide
CID 138580180
(3S,4S)-4-amino-3-fluoro-N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]piperidine-1-carboxamide
CID 138589649

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylpiperidine-1-carboxamide?
The IUPAC name of N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylpiperidine-1-carboxamide (CID 138559178) is N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylpiperidine-1-carboxamide?
The canonical SMILES for N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylpiperidine-1-carboxamide is Cc1ncc(-c2ccc3cnc(NC(=O)N4CCC(N5CCOCC5)CC4)cc3c2)o1.
What is the InChIKey of N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylpiperidine-1-carboxamide?
The InChIKey is WIIKMQHPXVONCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-16-24-15-21(31-16)17-2-3-18-14-25-22(13-19(18)12-17)26-23(29)28-6-4-20(5-7-28)27-8-10-30-11-9-27/h2-3,12-15,20H,4-11H2,1H3,(H,25,26,29).
What are the key properties of N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylpiperidine-1-carboxamide?
N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylpiperidine-1-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylpiperidine-1-carboxamide is sourced from PubChem (CID 138559178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).