N-[4-[2-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-(hydroxymethyl)-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide

C34H35N7O2 — CID 90008664

IUPACN-[4-[2-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-(hydroxymethyl)-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide
SMILESCCN1CCC(c2ccc(-c3cc4c(-c5ccnc(NC(=O)N6Cc7ccccc7C6)c5CO)ccnc4[nH]3)nc2)CC1
InChIInChI=1S/C34H35N7O2/c1-2-40-15-11-22(12-16-40)23-7-8-30(37-18-23)31-17-28-26(9-13-35-32(28)38-31)27-10-14-36-33(29(27)21-42)39-34(43)41-19-24-5-3-4-6-25(24)20-41/h3-10,13-14,17-18,22,42H,2,11-12,15-16,19-21H2,1H3,(H,35,38)(H,36,39,43)
InChIKeySKFMYHSDPKRPKE-UHFFFAOYSA-N
MW573.70 g/mol
LogP5.93
Rot. Bonds6

About N-[4-[2-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-(hydroxymethyl)-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide

N-[4-[2-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-(hydroxymethyl)-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide (PubChem CID 90008664) has the molecular formula C34H35N7O2 and a molecular weight of 573.70 g/mol. Its IUPAC name is N-[4-[2-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-(hydroxymethyl)-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-(hydroxymethyl)-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide
PubChem CID90008664
Molecular FormulaC34H35N7O2
Molecular Weight573.70 g/mol
Exact Mass573.29
IUPAC NameN-[4-[2-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-(hydroxymethyl)-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide
SMILESCCN1CCC(c2ccc(-c3cc4c(-c5ccnc(NC(=O)N6Cc7ccccc7C6)c5CO)ccnc4[nH]3)nc2)CC1
InChIInChI=1S/C34H35N7O2/c1-2-40-15-11-22(12-16-40)23-7-8-30(37-18-23)31-17-28-26(9-13-35-32(28)38-31)27-10-14-36-33(29(27)21-42)39-34(43)41-19-24-5-3-4-6-25(24)20-41/h3-10,13-14,17-18,22,42H,2,11-12,15-16,19-21H2,1H3,(H,35,38)(H,36,39,43)
InChIKeySKFMYHSDPKRPKE-UHFFFAOYSA-N
XLogP5.93
TPSA110.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.70
LogP ≤ 55.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-(hydroxymethyl)-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-(hydroxymethyl)-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of N-[4-[2-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-(hydroxymethyl)-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide (CID 90008664) is N-[4-[2-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-(hydroxymethyl)-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for N-[4-[2-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-(hydroxymethyl)-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for N-[4-[2-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-(hydroxymethyl)-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide is CCN1CCC(c2ccc(-c3cc4c(-c5ccnc(NC(=O)N6Cc7ccccc7C6)c5CO)ccnc4[nH]3)nc2)CC1.
What is the InChIKey of N-[4-[2-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-(hydroxymethyl)-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is SKFMYHSDPKRPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N7O2/c1-2-40-15-11-22(12-16-40)23-7-8-30(37-18-23)31-17-28-26(9-13-35-32(28)38-31)27-10-14-36-33(29(27)21-42)39-34(43)41-19-24-5-3-4-6-25(24)20-41/h3-10,13-14,17-18,22,42H,2,11-12,15-16,19-21H2,1H3,(H,35,38)(H,36,39,43).
What are the key properties of N-[4-[2-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-(hydroxymethyl)-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide?
N-[4-[2-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-(hydroxymethyl)-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 573.70 g/mol, XLogP of 5.93, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-(hydroxymethyl)-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 90008664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).