N-[[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]-2-[5-[(2,4-dimethoxyphenyl)methylamino]-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide

C33H35N7O7S — CID 170789448

IUPACN-[[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]-2-[5-[(2,4-dimethoxyphenyl)methylamino]-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide
SMILESCOc1ccc(CNc2cnc(N3CCOCC3)n(CC(=O)NCc3cc4cnccc4n3S(=O)(=O)c3ccccc3)c2=O)c(OC)c1
InChIInChI=1S/C33H35N7O7S/c1-45-26-9-8-23(30(17-26)46-2)19-35-28-21-37-33(38-12-14-47-15-13-38)39(32(28)42)22-31(41)36-20-25-16-24-18-34-11-10-29(24)40(25)48(43,44)27-6-4-3-5-7-27/h3-11,16-18,21,35H,12-15,19-20,22H2,1-2H3,(H,36,41)
InChIKeyNNFBMDSOEMBYLQ-UHFFFAOYSA-N
MW673.75 g/mol
LogP2.61
Rot. Bonds12

About N-[[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]-2-[5-[(2,4-dimethoxyphenyl)methylamino]-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide

N-[[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]-2-[5-[(2,4-dimethoxyphenyl)methylamino]-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide (PubChem CID 170789448) has the molecular formula C33H35N7O7S and a molecular weight of 673.75 g/mol. Its IUPAC name is N-[[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]-2-[5-[(2,4-dimethoxyphenyl)methylamino]-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]-2-[5-[(2,4-dimethoxyphenyl)methylamino]-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide
PubChem CID170789448
Molecular FormulaC33H35N7O7S
Molecular Weight673.75 g/mol
Exact Mass673.23
IUPAC NameN-[[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]-2-[5-[(2,4-dimethoxyphenyl)methylamino]-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide
SMILESCOc1ccc(CNc2cnc(N3CCOCC3)n(CC(=O)NCc3cc4cnccc4n3S(=O)(=O)c3ccccc3)c2=O)c(OC)c1
InChIInChI=1S/C33H35N7O7S/c1-45-26-9-8-23(30(17-26)46-2)19-35-28-21-37-33(38-12-14-47-15-13-38)39(32(28)42)22-31(41)36-20-25-16-24-18-34-11-10-29(24)40(25)48(43,44)27-6-4-3-5-7-27/h3-11,16-18,21,35H,12-15,19-20,22H2,1-2H3,(H,36,41)
InChIKeyNNFBMDSOEMBYLQ-UHFFFAOYSA-N
XLogP2.61
TPSA158.91 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.75
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze N-[[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]-2-[5-[(2,4-dimethoxyphenyl)methylamino]-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide with MolForge

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2-[2,3-dioxo-4-(pyridin-4-ylmethyl)pyrido[2,3-b]pyrazin-1-yl]acetamide
CID 53001236
N-[(2-methoxyphenyl)methyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6492353
N-[(2,4-dimethoxyphenyl)methyl]-2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carboxamide
CID 142592642
N-[(2,4-dimethoxyphenyl)methyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53119281
N-[(2,4-dimethoxyphenyl)methyl]-4-morpholin-4-ylaniline
CID 6492077
tert-butyl N-[2-[(8S)-8-[[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-2-yl]methylcarbamoyl]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-2-oxoethyl]carbamate
CID 170962907
5-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 138596099
2-[3-[(2,4-dimethoxyphenyl)methylamino]-2-oxo-6-phenylpyrazin-1-yl]acetic acid
CID 170790056
3-chloro-1-[(2,4-dimethoxyphenyl)methyl]pyrido[4,3-d]pyrimidine-2,4-dione
CID 174236060
N-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 50768132
4-acetamido-N-[(2,4-dimethoxyphenyl)methyl]-2-morpholin-4-ylbenzamide
CID 53146056
[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,3-dimethoxyphenyl)methanone
CID 10863318

Frequently Asked Questions

What is the IUPAC name of N-[[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]-2-[5-[(2,4-dimethoxyphenyl)methylamino]-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide?
The IUPAC name of N-[[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]-2-[5-[(2,4-dimethoxyphenyl)methylamino]-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide (CID 170789448) is N-[[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]-2-[5-[(2,4-dimethoxyphenyl)methylamino]-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-[[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]-2-[5-[(2,4-dimethoxyphenyl)methylamino]-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-[[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]-2-[5-[(2,4-dimethoxyphenyl)methylamino]-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide is COc1ccc(CNc2cnc(N3CCOCC3)n(CC(=O)NCc3cc4cnccc4n3S(=O)(=O)c3ccccc3)c2=O)c(OC)c1.
What is the InChIKey of N-[[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]-2-[5-[(2,4-dimethoxyphenyl)methylamino]-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide?
The InChIKey is NNFBMDSOEMBYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N7O7S/c1-45-26-9-8-23(30(17-26)46-2)19-35-28-21-37-33(38-12-14-47-15-13-38)39(32(28)42)22-31(41)36-20-25-16-24-18-34-11-10-29(24)40(25)48(43,44)27-6-4-3-5-7-27/h3-11,16-18,21,35H,12-15,19-20,22H2,1-2H3,(H,36,41).
What are the key properties of N-[[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]-2-[5-[(2,4-dimethoxyphenyl)methylamino]-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide?
N-[[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]-2-[5-[(2,4-dimethoxyphenyl)methylamino]-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide has a molecular weight of 673.75 g/mol, XLogP of 2.61, 12 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]-2-[5-[(2,4-dimethoxyphenyl)methylamino]-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 170789448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).