N-(2,3-dihydro-1H-inden-2-yl)-3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzamide

C31H30N6O2 — CID 59244252

IUPACN-(2,3-dihydro-1H-inden-2-yl)-3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzamide
SMILESO=C(NC1Cc2ccccc2C1)c1cccc(-c2nc(N3CCOCC3)nc3c2CCN3c2cccnc2)c1
InChIInChI=1S/C31H30N6O2/c38-30(33-25-18-21-5-1-2-6-22(21)19-25)24-8-3-7-23(17-24)28-27-10-12-37(26-9-4-11-32-20-26)29(27)35-31(34-28)36-13-15-39-16-14-36/h1-9,11,17,20,25H,10,12-16,18-19H2,(H,33,38)
InChIKeyDZKTUGMKOFGGSG-UHFFFAOYSA-N
MW518.62 g/mol
LogP3.97
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-2-yl)-3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzamide

N-(2,3-dihydro-1H-inden-2-yl)-3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzamide (PubChem CID 59244252) has the molecular formula C31H30N6O2 and a molecular weight of 518.62 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzamide
PubChem CID59244252
Molecular FormulaC31H30N6O2
Molecular Weight518.62 g/mol
Exact Mass518.24
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzamide
SMILESO=C(NC1Cc2ccccc2C1)c1cccc(-c2nc(N3CCOCC3)nc3c2CCN3c2cccnc2)c1
InChIInChI=1S/C31H30N6O2/c38-30(33-25-18-21-5-1-2-6-22(21)19-25)24-8-3-7-23(17-24)28-27-10-12-37(26-9-4-11-32-20-26)29(27)35-31(34-28)36-13-15-39-16-14-36/h1-9,11,17,20,25H,10,12-16,18-19H2,(H,33,38)
InChIKeyDZKTUGMKOFGGSG-UHFFFAOYSA-N
XLogP3.97
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.62
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2,3-dihydro-1H-inden-2-yl)-3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzamide with MolForge

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Related Compounds

(2,6-dimethylmorpholin-4-yl)-[3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methanone
CID 59244345
[3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methanol
CID 59244893
3-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenol
CID 24890625
methyl 3-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]benzoate
CID 59244356
N-[3-(dimethylamino)propyl]-3-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzamide;2,2,2-trifluoroacetic acid
CID 67386398
3-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfinic acid
CID 59244525
N-[4-cyclopropyl-3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)butyl]benzamide
CID 90913713
methyl 3-[4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]benzoate
CID 59245015
N-(2-cyclopropylethyl)-3-(2-piperidin-1-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)-N-propylbenzamide
CID 163803737
3-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-N-(2-hydroxyethyl)benzenesulfonamide
CID 59244440
(3-hydroxypyrrolidin-1-yl)-[3-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methanone;2,2,2-trifluoroacetic acid
CID 67385114
4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-(fluoromethyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 90739175

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzamide (CID 59244252) is N-(2,3-dihydro-1H-inden-2-yl)-3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzamide is O=C(NC1Cc2ccccc2C1)c1cccc(-c2nc(N3CCOCC3)nc3c2CCN3c2cccnc2)c1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzamide?
The InChIKey is DZKTUGMKOFGGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N6O2/c38-30(33-25-18-21-5-1-2-6-22(21)19-25)24-8-3-7-23(17-24)28-27-10-12-37(26-9-4-11-32-20-26)29(27)35-31(34-28)36-13-15-39-16-14-36/h1-9,11,17,20,25H,10,12-16,18-19H2,(H,33,38).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzamide?
N-(2,3-dihydro-1H-inden-2-yl)-3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzamide has a molecular weight of 518.62 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzamide is sourced from PubChem (CID 59244252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).