ethane;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-2,3-dihydroisoindol-1-one

C27H31N7O — CID 156652075

IUPACethane;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-2,3-dihydroisoindol-1-one
SMILESCC.CN1CCN(c2ccc(Nc3ccc(-c4c[nH]c5ccncc45)c4c3C(=O)NC4)nc2)CC1
InChIInChI=1S/C25H25N7O.C2H6/c1-31-8-10-32(11-9-31)16-2-5-23(28-12-16)30-22-4-3-17(20-15-29-25(33)24(20)22)18-14-27-21-6-7-26-13-19(18)21;1-2/h2-7,12-14,27H,8-11,15H2,1H3,(H,28,30)(H,29,33);1-2H3
InChIKeyOJMLZSBKWOCGOV-UHFFFAOYSA-N
MW469.59 g/mol
LogP4.39
Rot. Bonds4

About ethane;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-2,3-dihydroisoindol-1-one

ethane;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-2,3-dihydroisoindol-1-one (PubChem CID 156652075) has the molecular formula C27H31N7O and a molecular weight of 469.59 g/mol. Its IUPAC name is ethane;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Nameethane;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-2,3-dihydroisoindol-1-one
PubChem CID156652075
Molecular FormulaC27H31N7O
Molecular Weight469.59 g/mol
Exact Mass469.26
IUPAC Nameethane;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-2,3-dihydroisoindol-1-one
SMILESCC.CN1CCN(c2ccc(Nc3ccc(-c4c[nH]c5ccncc45)c4c3C(=O)NC4)nc2)CC1
InChIInChI=1S/C25H25N7O.C2H6/c1-31-8-10-32(11-9-31)16-2-5-23(28-12-16)30-22-4-3-17(20-15-29-25(33)24(20)22)18-14-27-21-6-7-26-13-19(18)21;1-2/h2-7,12-14,27H,8-11,15H2,1H3,(H,28,30)(H,29,33);1-2H3
InChIKeyOJMLZSBKWOCGOV-UHFFFAOYSA-N
XLogP4.39
TPSA89.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze ethane;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-2,3-dihydroisoindol-1-one with MolForge

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

Launch Full Analysis

Related Compounds

7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-phenyl-2,3-dihydroisoindol-1-one
CID 164927049
4-[2-(dimethylamino)-4-pyridinyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
CID 164926878
7-[(5-piperazin-1-yl-2-pyridinyl)amino]-4-pyridin-4-yl-2,3-dihydroisoindol-1-one
CID 164926820
7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-yl]-2,3-dihydroisoindol-1-one
CID 164926538
7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-[2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-4-pyridinyl]-2,3-dihydroisoindol-1-one
CID 164926614
4-(2,3-dimethylimidazol-4-yl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydroisoindol-1-one
CID 164927100
ethane;4-(1H-indol-3-yl)-7-(pyridin-2-ylamino)-2,3-dihydroisoindol-1-one;4-(1H-indol-3-yl)-7-(pyridin-2-ylamino)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 158016624
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
4-methylsulfinyl-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 164926873
7-[[5-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-[(5R)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-[(5S)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-2,3-dihydroisoindol-1-one
CID 158384947
ethane;1-oxo-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridine-4-carboxamide
CID 164926987
4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[(5-morpholin-4-yl-2-pyridinyl)amino]-2,3-dihydroisoindol-1-one;N-methylmethanamine
CID 156652343

Frequently Asked Questions

What is the IUPAC name of ethane;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-2,3-dihydroisoindol-1-one?
The IUPAC name of ethane;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-2,3-dihydroisoindol-1-one (CID 156652075) is ethane;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for ethane;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for ethane;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-2,3-dihydroisoindol-1-one is CC.CN1CCN(c2ccc(Nc3ccc(-c4c[nH]c5ccncc45)c4c3C(=O)NC4)nc2)CC1.
What is the InChIKey of ethane;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-2,3-dihydroisoindol-1-one?
The InChIKey is OJMLZSBKWOCGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O.C2H6/c1-31-8-10-32(11-9-31)16-2-5-23(28-12-16)30-22-4-3-17(20-15-29-25(33)24(20)22)18-14-27-21-6-7-26-13-19(18)21;1-2/h2-7,12-14,27H,8-11,15H2,1H3,(H,28,30)(H,29,33);1-2H3.
What are the key properties of ethane;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-2,3-dihydroisoindol-1-one?
ethane;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-2,3-dihydroisoindol-1-one has a molecular weight of 469.59 g/mol, XLogP of 4.39, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 156652075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).