N-[4-cyclopropyl-3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)butyl]benzamide

C29H34N6O2 — CID 90913713

IUPACN-[4-cyclopropyl-3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)butyl]benzamide
SMILESO=C(NCCC(CC1CC1)c1nc(N2CCOCC2)nc2c1CCN2c1cccnc1)c1ccccc1
InChIInChI=1S/C29H34N6O2/c36-28(22-5-2-1-3-6-22)31-13-10-23(19-21-8-9-21)26-25-11-14-35(24-7-4-12-30-20-24)27(25)33-29(32-26)34-15-17-37-18-16-34/h1-7,12,20-21,23H,8-11,13-19H2,(H,31,36)
InChIKeyWMCFWVMUUJKZQF-UHFFFAOYSA-N
MW498.63 g/mol
LogP4.11
Rot. Bonds9

About N-[4-cyclopropyl-3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)butyl]benzamide

N-[4-cyclopropyl-3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)butyl]benzamide (PubChem CID 90913713) has the molecular formula C29H34N6O2 and a molecular weight of 498.63 g/mol. Its IUPAC name is N-[4-cyclopropyl-3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)butyl]benzamide.

Molecular Properties

Compound NameN-[4-cyclopropyl-3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)butyl]benzamide
PubChem CID90913713
Molecular FormulaC29H34N6O2
Molecular Weight498.63 g/mol
Exact Mass498.27
IUPAC NameN-[4-cyclopropyl-3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)butyl]benzamide
SMILESO=C(NCCC(CC1CC1)c1nc(N2CCOCC2)nc2c1CCN2c1cccnc1)c1ccccc1
InChIInChI=1S/C29H34N6O2/c36-28(22-5-2-1-3-6-22)31-13-10-23(19-21-8-9-21)26-25-11-14-35(24-7-4-12-30-20-24)27(25)33-29(32-26)34-15-17-37-18-16-34/h1-7,12,20-21,23H,8-11,13-19H2,(H,31,36)
InChIKeyWMCFWVMUUJKZQF-UHFFFAOYSA-N
XLogP4.11
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
[3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methanol
CID 59244893
(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
2-morpholin-4-yl-N-(oxetan-3-yl)-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-amine
CID 168923707
1-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyridin-2-one
CID 168923459
3-[(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)oxymethyl]boretane-1-carbonitrile
CID 168923478
4-[4-(1-methylpyrrolidin-3-yl)-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine
CID 168923447
ethane;2-methyl-1-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)propan-2-ol
CID 168923711
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
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 16806482
N-(3-cyclopropyl-3-phenylpropyl)pyridine-3-carboxamide
CID 84510606
N-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide
CID 94249234

Frequently Asked Questions

What is the IUPAC name of N-[4-cyclopropyl-3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)butyl]benzamide?
The IUPAC name of 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) is N-[4-cyclopropyl-3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)butyl]benzamide.
What is the SMILES notation for N-[4-cyclopropyl-3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)butyl]benzamide?
The canonical SMILES for N-[4-cyclopropyl-3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)butyl]benzamide is O=C(NCCC(CC1CC1)c1nc(N2CCOCC2)nc2c1CCN2c1cccnc1)c1ccccc1.
What is the InChIKey of N-[4-cyclopropyl-3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)butyl]benzamide?
The InChIKey is WMCFWVMUUJKZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O2/c36-28(22-5-2-1-3-6-22)31-13-10-23(19-21-8-9-21)26-25-11-14-35(24-7-4-12-30-20-24)27(25)33-29(32-26)34-15-17-37-18-16-34/h1-7,12,20-21,23H,8-11,13-19H2,(H,31,36).
What are the key properties of N-[4-cyclopropyl-3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)butyl]benzamide?
N-[4-cyclopropyl-3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)butyl]benzamide has a molecular weight of 498.63 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclopropyl-3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)butyl]benzamide is sourced from PubChem (CID 90913713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).