N-cyclopropyl-1-[7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-oxo-2,3-dihydroisoindol-4-yl]-5,6,7,8-tetrahydroindolizine-6-carboxamide

C30H34N6O3 — CID 176618653

IUPACN-cyclopropyl-1-[7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-oxo-2,3-dihydroisoindol-4-yl]-5,6,7,8-tetrahydroindolizine-6-carboxamide
SMILESO=C1NCc2c(-c3ccn4c3CCC(C(=O)NC3CC3)C4)ccc(Nc3ccc(N4CCC(O)CC4)cn3)c21
InChIInChI=1S/C30H34N6O3/c37-21-9-12-35(13-10-21)20-4-8-27(31-15-20)34-25-6-5-22(24-16-32-30(39)28(24)25)23-11-14-36-17-18(1-7-26(23)36)29(38)33-19-2-3-19/h4-6,8,11,14-15,18-19,21,37H,1-3,7,9-10,12-13,16-17H2,(H,31,34)(H,32,39)(H,33,38)
InChIKeyACRHXTSQWBPMMR-UHFFFAOYSA-N
MW526.64 g/mol
LogP3.34
Rot. Bonds6

About N-cyclopropyl-1-[7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-oxo-2,3-dihydroisoindol-4-yl]-5,6,7,8-tetrahydroindolizine-6-carboxamide

N-cyclopropyl-1-[7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-oxo-2,3-dihydroisoindol-4-yl]-5,6,7,8-tetrahydroindolizine-6-carboxamide (PubChem CID 176618653) has the molecular formula C30H34N6O3 and a molecular weight of 526.64 g/mol. Its IUPAC name is N-cyclopropyl-1-[7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-oxo-2,3-dihydroisoindol-4-yl]-5,6,7,8-tetrahydroindolizine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-oxo-2,3-dihydroisoindol-4-yl]-5,6,7,8-tetrahydroindolizine-6-carboxamide
PubChem CID176618653
Molecular FormulaC30H34N6O3
Molecular Weight526.64 g/mol
Exact Mass526.27
IUPAC NameN-cyclopropyl-1-[7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-oxo-2,3-dihydroisoindol-4-yl]-5,6,7,8-tetrahydroindolizine-6-carboxamide
SMILESO=C1NCc2c(-c3ccn4c3CCC(C(=O)NC3CC3)C4)ccc(Nc3ccc(N4CCC(O)CC4)cn3)c21
InChIInChI=1S/C30H34N6O3/c37-21-9-12-35(13-10-21)20-4-8-27(31-15-20)34-25-6-5-22(24-16-32-30(39)28(24)25)23-11-14-36-17-18(1-7-26(23)36)29(38)33-19-2-3-19/h4-6,8,11,14-15,18-19,21,37H,1-3,7,9-10,12-13,16-17H2,(H,31,34)(H,32,39)(H,33,38)
InChIKeyACRHXTSQWBPMMR-UHFFFAOYSA-N
XLogP3.34
TPSA111.52 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.64
LogP ≤ 53.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-cyclopropyl-1-[7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-oxo-2,3-dihydroisoindol-4-yl]-5,6,7,8-tetrahydroindolizine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-oxo-2,3-dihydroisoindol-4-yl]-5,6,7,8-tetrahydroindolizine-6-carboxamide?
The IUPAC name of N-cyclopropyl-1-[7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-oxo-2,3-dihydroisoindol-4-yl]-5,6,7,8-tetrahydroindolizine-6-carboxamide (CID 176618653) is N-cyclopropyl-1-[7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-oxo-2,3-dihydroisoindol-4-yl]-5,6,7,8-tetrahydroindolizine-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-oxo-2,3-dihydroisoindol-4-yl]-5,6,7,8-tetrahydroindolizine-6-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-oxo-2,3-dihydroisoindol-4-yl]-5,6,7,8-tetrahydroindolizine-6-carboxamide is O=C1NCc2c(-c3ccn4c3CCC(C(=O)NC3CC3)C4)ccc(Nc3ccc(N4CCC(O)CC4)cn3)c21.
What is the InChIKey of N-cyclopropyl-1-[7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-oxo-2,3-dihydroisoindol-4-yl]-5,6,7,8-tetrahydroindolizine-6-carboxamide?
The InChIKey is ACRHXTSQWBPMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O3/c37-21-9-12-35(13-10-21)20-4-8-27(31-15-20)34-25-6-5-22(24-16-32-30(39)28(24)25)23-11-14-36-17-18(1-7-26(23)36)29(38)33-19-2-3-19/h4-6,8,11,14-15,18-19,21,37H,1-3,7,9-10,12-13,16-17H2,(H,31,34)(H,32,39)(H,33,38).
What are the key properties of N-cyclopropyl-1-[7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-oxo-2,3-dihydroisoindol-4-yl]-5,6,7,8-tetrahydroindolizine-6-carboxamide?
N-cyclopropyl-1-[7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-oxo-2,3-dihydroisoindol-4-yl]-5,6,7,8-tetrahydroindolizine-6-carboxamide has a molecular weight of 526.64 g/mol, XLogP of 3.34, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-oxo-2,3-dihydroisoindol-4-yl]-5,6,7,8-tetrahydroindolizine-6-carboxamide is sourced from PubChem (CID 176618653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).