2-(7-chloro-3-hydroxy-2,3-dihydro-1H-isoindol-4-yl)-N-piperidin-4-yl-1H-indole-5-carboxamide

C22H23ClN4O2 — CID 174551796

IUPAC2-(7-chloro-3-hydroxy-2,3-dihydro-1H-isoindol-4-yl)-N-piperidin-4-yl-1H-indole-5-carboxamide
SMILESO=C(NC1CCNCC1)c1ccc2[nH]c(-c3ccc(Cl)c4c3C(O)NC4)cc2c1
InChIInChI=1S/C22H23ClN4O2/c23-17-3-2-15(20-16(17)11-25-22(20)29)19-10-13-9-12(1-4-18(13)27-19)21(28)26-14-5-7-24-8-6-14/h1-4,9-10,14,22,24-25,27,29H,5-8,11H2,(H,26,28)
InChIKeyINJGLGVITNIFRP-UHFFFAOYSA-N
MW410.91 g/mol
LogP3.06
Rot. Bonds3

About 2-(7-chloro-3-hydroxy-2,3-dihydro-1H-isoindol-4-yl)-N-piperidin-4-yl-1H-indole-5-carboxamide

2-(7-chloro-3-hydroxy-2,3-dihydro-1H-isoindol-4-yl)-N-piperidin-4-yl-1H-indole-5-carboxamide (PubChem CID 174551796) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 2-(7-chloro-3-hydroxy-2,3-dihydro-1H-isoindol-4-yl)-N-piperidin-4-yl-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2-(7-chloro-3-hydroxy-2,3-dihydro-1H-isoindol-4-yl)-N-piperidin-4-yl-1H-indole-5-carboxamide
PubChem CID174551796
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name2-(7-chloro-3-hydroxy-2,3-dihydro-1H-isoindol-4-yl)-N-piperidin-4-yl-1H-indole-5-carboxamide
SMILESO=C(NC1CCNCC1)c1ccc2[nH]c(-c3ccc(Cl)c4c3C(O)NC4)cc2c1
InChIInChI=1S/C22H23ClN4O2/c23-17-3-2-15(20-16(17)11-25-22(20)29)19-10-13-9-12(1-4-18(13)27-19)21(28)26-14-5-7-24-8-6-14/h1-4,9-10,14,22,24-25,27,29H,5-8,11H2,(H,26,28)
InChIKeyINJGLGVITNIFRP-UHFFFAOYSA-N
XLogP3.06
TPSA89.18 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 53.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-piperidin-4-yl-1H-indole-6-carboxamide
CID 18453185
N-(azepan-4-yl)-4-chloro-3-fluorobenzamide
CID 107990996
2,5-dichloro-N-piperidin-4-ylbenzamide
CID 43345741
(1-aminocyclopentyl)methyl 2-[3-[7-[5-[(1-aminocyclopentyl)methoxycarbonyl]-1H-indol-2-yl]-4-chloro-2,3-dihydro-1H-isoindole-1-carbonyl]-7-chloro-2,3-dihydro-1H-isoindol-4-yl]-1H-indole-5-carboxylate
CID 174537458
N-piperidin-4-yl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 110489063
3-chloro-4-iodo-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 103209637
3-chloro-4-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 82878959
N-pyrrolidin-3-yl-1H-indole-5-carboxamide
CID 63747913
4-chloro-1-N-cyclopropylbenzene-1,3-dicarboxamide
CID 129113636
N-piperidin-4-yl-4-sulfanylbenzamide
CID 107023949
4-(5,6-dichloro-1H-indol-2-yl)-3-(2-hydroxyethoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 22675058
3,5-dichloro-N-[4-(piperidin-4-ylcarbamoyl)phenyl]benzamide
CID 119386610

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-3-hydroxy-2,3-dihydro-1H-isoindol-4-yl)-N-piperidin-4-yl-1H-indole-5-carboxamide?
The IUPAC name of 2-(7-chloro-3-hydroxy-2,3-dihydro-1H-isoindol-4-yl)-N-piperidin-4-yl-1H-indole-5-carboxamide (CID 174551796) is 2-(7-chloro-3-hydroxy-2,3-dihydro-1H-isoindol-4-yl)-N-piperidin-4-yl-1H-indole-5-carboxamide.
What is the SMILES notation for 2-(7-chloro-3-hydroxy-2,3-dihydro-1H-isoindol-4-yl)-N-piperidin-4-yl-1H-indole-5-carboxamide?
The canonical SMILES for 2-(7-chloro-3-hydroxy-2,3-dihydro-1H-isoindol-4-yl)-N-piperidin-4-yl-1H-indole-5-carboxamide is O=C(NC1CCNCC1)c1ccc2[nH]c(-c3ccc(Cl)c4c3C(O)NC4)cc2c1.
What is the InChIKey of 2-(7-chloro-3-hydroxy-2,3-dihydro-1H-isoindol-4-yl)-N-piperidin-4-yl-1H-indole-5-carboxamide?
The InChIKey is INJGLGVITNIFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c23-17-3-2-15(20-16(17)11-25-22(20)29)19-10-13-9-12(1-4-18(13)27-19)21(28)26-14-5-7-24-8-6-14/h1-4,9-10,14,22,24-25,27,29H,5-8,11H2,(H,26,28).
What are the key properties of 2-(7-chloro-3-hydroxy-2,3-dihydro-1H-isoindol-4-yl)-N-piperidin-4-yl-1H-indole-5-carboxamide?
2-(7-chloro-3-hydroxy-2,3-dihydro-1H-isoindol-4-yl)-N-piperidin-4-yl-1H-indole-5-carboxamide has a molecular weight of 410.91 g/mol, XLogP of 3.06, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-3-hydroxy-2,3-dihydro-1H-isoindol-4-yl)-N-piperidin-4-yl-1H-indole-5-carboxamide is sourced from PubChem (CID 174551796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).