5-[4-(1H-isoindol-5-ylamino)pyrimidin-2-yl]-3-methyl-N-pyridazin-4-yl-2,3-dihydro-1H-indole-2-carboxamide

C26H22N8O — CID 167560154

IUPAC5-[4-(1H-isoindol-5-ylamino)pyrimidin-2-yl]-3-methyl-N-pyridazin-4-yl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCC1c2cc(-c3nccc(Nc4ccc5c(c4)C=NC5)n3)ccc2NC1C(=O)Nc1ccnnc1
InChIInChI=1S/C26H22N8O/c1-15-21-11-16(3-5-22(21)33-24(15)26(35)32-20-6-9-29-30-14-20)25-28-8-7-23(34-25)31-19-4-2-17-12-27-13-18(17)10-19/h2-11,13-15,24,33H,12H2,1H3,(H,28,31,34)(H,29,32,35)
InChIKeyDNVLKKNQKFYDDO-UHFFFAOYSA-N
MW462.52 g/mol
LogP4.15
Rot. Bonds5

About 5-[4-(1H-isoindol-5-ylamino)pyrimidin-2-yl]-3-methyl-N-pyridazin-4-yl-2,3-dihydro-1H-indole-2-carboxamide

5-[4-(1H-isoindol-5-ylamino)pyrimidin-2-yl]-3-methyl-N-pyridazin-4-yl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 167560154) has the molecular formula C26H22N8O and a molecular weight of 462.52 g/mol. Its IUPAC name is 5-[4-(1H-isoindol-5-ylamino)pyrimidin-2-yl]-3-methyl-N-pyridazin-4-yl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-[4-(1H-isoindol-5-ylamino)pyrimidin-2-yl]-3-methyl-N-pyridazin-4-yl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID167560154
Molecular FormulaC26H22N8O
Molecular Weight462.52 g/mol
Exact Mass462.19
IUPAC Name5-[4-(1H-isoindol-5-ylamino)pyrimidin-2-yl]-3-methyl-N-pyridazin-4-yl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCC1c2cc(-c3nccc(Nc4ccc5c(c4)C=NC5)n3)ccc2NC1C(=O)Nc1ccnnc1
InChIInChI=1S/C26H22N8O/c1-15-21-11-16(3-5-22(21)33-24(15)26(35)32-20-6-9-29-30-14-20)25-28-8-7-23(34-25)31-19-4-2-17-12-27-13-18(17)10-19/h2-11,13-15,24,33H,12H2,1H3,(H,28,31,34)(H,29,32,35)
InChIKeyDNVLKKNQKFYDDO-UHFFFAOYSA-N
XLogP4.15
TPSA117.08 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-[4-(1H-isoindol-5-ylamino)pyrimidin-2-yl]-3-methyl-N-pyridazin-4-yl-2,3-dihydro-1H-indole-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

Related Compounds

5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide
CID 137369561
N-[2-(2-fluorophenyl)pyrimidin-4-yl]-1H-isoindol-5-amine
CID 152803394
6-[4-[[3-(dimethylamino)-1H-indazol-5-yl]amino]pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide
CID 137387756
6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-pyridazin-4-yl-1-benzothiophene-2-carboxamide
CID 137369535
1-[6-[4-(3H-isoindol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-3-methylbutan-1-one
CID 159663986
N-(1H-isoindol-5-yl)acetamide
CID 142070136
5-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-ylamino)pyrimidin-2-yl]-N-pyridazin-4-yl-1,3-dihydroisoindole-2-carboxamide
CID 146047243
2-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1,3-dihydroisoindol-2-yl]-3-(pyridazin-4-ylamino)propanal
CID 146588163
N-[2-[3-(1-aminoethyl)phenyl]pyrimidin-4-yl]-2-ethyl-1,2-dihydroquinolin-6-amine
CID 123814541
(3,3-difluoroazetidin-1-yl)-[6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-2,3-dihydro-1H-indol-2-yl]methanone
CID 166041726
acetic acid;4-N-[7-(4-methylphenyl)-1H-isoindol-5-yl]pyrimidine-2,4-diamine
CID 157240750
N-[2-(4,7-diazaspiro[2.5]octan-7-yl)pyrimidin-4-yl]-1H-isoindol-5-amine
CID 147378133

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1H-isoindol-5-ylamino)pyrimidin-2-yl]-3-methyl-N-pyridazin-4-yl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of 5-[4-(1H-isoindol-5-ylamino)pyrimidin-2-yl]-3-methyl-N-pyridazin-4-yl-2,3-dihydro-1H-indole-2-carboxamide (CID 167560154) is 5-[4-(1H-isoindol-5-ylamino)pyrimidin-2-yl]-3-methyl-N-pyridazin-4-yl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for 5-[4-(1H-isoindol-5-ylamino)pyrimidin-2-yl]-3-methyl-N-pyridazin-4-yl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for 5-[4-(1H-isoindol-5-ylamino)pyrimidin-2-yl]-3-methyl-N-pyridazin-4-yl-2,3-dihydro-1H-indole-2-carboxamide is CC1c2cc(-c3nccc(Nc4ccc5c(c4)C=NC5)n3)ccc2NC1C(=O)Nc1ccnnc1.
What is the InChIKey of 5-[4-(1H-isoindol-5-ylamino)pyrimidin-2-yl]-3-methyl-N-pyridazin-4-yl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is DNVLKKNQKFYDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N8O/c1-15-21-11-16(3-5-22(21)33-24(15)26(35)32-20-6-9-29-30-14-20)25-28-8-7-23(34-25)31-19-4-2-17-12-27-13-18(17)10-19/h2-11,13-15,24,33H,12H2,1H3,(H,28,31,34)(H,29,32,35).
What are the key properties of 5-[4-(1H-isoindol-5-ylamino)pyrimidin-2-yl]-3-methyl-N-pyridazin-4-yl-2,3-dihydro-1H-indole-2-carboxamide?
5-[4-(1H-isoindol-5-ylamino)pyrimidin-2-yl]-3-methyl-N-pyridazin-4-yl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 462.52 g/mol, XLogP of 4.15, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1H-isoindol-5-ylamino)pyrimidin-2-yl]-3-methyl-N-pyridazin-4-yl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 167560154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).