N-[5-[3-[3-[2-amino-4-[2-(2-morpholin-4-yl-4-pyridinyl)-4-pyridin-2-yl-3-pyridinyl]-3-pyridinyl]-5-methoxy-2-pyridinyl]-5-methylsulfonyl-2-pyridinyl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide

C45H42N10O7S2 — CID 123733253

IUPACN-[5-[3-[3-[2-amino-4-[2-(2-morpholin-4-yl-4-pyridinyl)-4-pyridin-2-yl-3-pyridinyl]-3-pyridinyl]-5-methoxy-2-pyridinyl]-5-methylsulfonyl-2-pyridinyl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide
SMILESCOc1cnc(-c2cc(S(C)(=O)=O)cnc2-c2cnc(OC)c(NS(=O)(=O)C3CC3)c2)c(-c2c(-c3c(-c4ccccn4)ccnc3-c3ccnc(N4CCOCC4)c3)ccnc2N)c1
InChIInChI=1S/C45H42N10O7S2/c1-60-29-22-34(43(51-25-29)35-23-31(63(3,56)57)26-52-41(35)28-20-37(45(61-2)53-24-28)54-64(58,59)30-7-8-30)40-33(11-15-50-44(40)46)39-32(36-6-4-5-12-47-36)10-14-49-42(39)27-9-13-48-38(21-27)55-16-18-62-19-17-55/h4-6,9-15,20-26,30,54H,7-8,16-19H2,1-3H3,(H2,46,50)
InChIKeyWXYIMFZCUJWNJE-UHFFFAOYSA-N
MW899.03 g/mol
LogP6.20
Rot. Bonds13

About N-[5-[3-[3-[2-amino-4-[2-(2-morpholin-4-yl-4-pyridinyl)-4-pyridin-2-yl-3-pyridinyl]-3-pyridinyl]-5-methoxy-2-pyridinyl]-5-methylsulfonyl-2-pyridinyl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide

N-[5-[3-[3-[2-amino-4-[2-(2-morpholin-4-yl-4-pyridinyl)-4-pyridin-2-yl-3-pyridinyl]-3-pyridinyl]-5-methoxy-2-pyridinyl]-5-methylsulfonyl-2-pyridinyl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide (PubChem CID 123733253) has the molecular formula C45H42N10O7S2 and a molecular weight of 899.03 g/mol. Its IUPAC name is N-[5-[3-[3-[2-amino-4-[2-(2-morpholin-4-yl-4-pyridinyl)-4-pyridin-2-yl-3-pyridinyl]-3-pyridinyl]-5-methoxy-2-pyridinyl]-5-methylsulfonyl-2-pyridinyl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[5-[3-[3-[2-amino-4-[2-(2-morpholin-4-yl-4-pyridinyl)-4-pyridin-2-yl-3-pyridinyl]-3-pyridinyl]-5-methoxy-2-pyridinyl]-5-methylsulfonyl-2-pyridinyl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide
PubChem CID123733253
Molecular FormulaC45H42N10O7S2
Molecular Weight899.03 g/mol
Exact Mass898.27
IUPAC NameN-[5-[3-[3-[2-amino-4-[2-(2-morpholin-4-yl-4-pyridinyl)-4-pyridin-2-yl-3-pyridinyl]-3-pyridinyl]-5-methoxy-2-pyridinyl]-5-methylsulfonyl-2-pyridinyl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide
SMILESCOc1cnc(-c2cc(S(C)(=O)=O)cnc2-c2cnc(OC)c(NS(=O)(=O)C3CC3)c2)c(-c2c(-c3c(-c4ccccn4)ccnc3-c3ccnc(N4CCOCC4)c3)ccnc2N)c1
InChIInChI=1S/C45H42N10O7S2/c1-60-29-22-34(43(51-25-29)35-23-31(63(3,56)57)26-52-41(35)28-20-37(45(61-2)53-24-28)54-64(58,59)30-7-8-30)40-33(11-15-50-44(40)46)39-32(36-6-4-5-12-47-36)10-14-49-42(39)27-9-13-48-38(21-27)55-16-18-62-19-17-55/h4-6,9-15,20-26,30,54H,7-8,16-19H2,1-3H3,(H2,46,50)
InChIKeyWXYIMFZCUJWNJE-UHFFFAOYSA-N
XLogP6.20
TPSA227.49 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500899.03
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze N-[5-[3-[3-[2-amino-4-[2-(2-morpholin-4-yl-4-pyridinyl)-4-pyridin-2-yl-3-pyridinyl]-3-pyridinyl]-5-methoxy-2-pyridinyl]-5-methylsulfonyl-2-pyridinyl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[5-[7-[[4-(2-fluoropropan-2-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide
CID 122432390
N-[2-methoxy-5-[7-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
CID 122428062
N-[5-[7-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 122428505
N-[2-methoxy-5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]cyclopropanesulfonamide
CID 122432281
N-[2-methoxy-5-[7-[(4-methoxypiperidin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]cyclopropanesulfonamide
CID 122432313
N-[5-[7-[(4-tert-butylpiperazin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide
CID 122432341
N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide
CID 122432382
N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide
CID 122432398
N-[5-[7-[(4-tert-butylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide
CID 122432506
2-[1-[3-Tert-butyl-2-(4-methylsulfonylphenyl)-5-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]-4-pyridinyl]ethoxy]-5-(4-methylsulfonylphenyl)pyrazine
CID 91442253
tert-butyl N-[2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethyl]carbamate;2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethanamine;6-[[2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;(6-methoxy-1,5-naphthyridin-4-yl) trifluoromethanesulfonate;tetrakis(vanadium)
CID 158025330
2-amino-5-[5-[4-[6-[6-amino-5-(dimethylsulfamoyl)-3-pyridinyl]-1,5-naphthyridin-4-yl]-2-(trifluoromethoxy)phenyl]-8-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]-1,5-naphthyridin-2-yl]-N,N-dimethylpyridine-3-sulfonamide
CID 162585531

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[3-[2-amino-4-[2-(2-morpholin-4-yl-4-pyridinyl)-4-pyridin-2-yl-3-pyridinyl]-3-pyridinyl]-5-methoxy-2-pyridinyl]-5-methylsulfonyl-2-pyridinyl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide?
The IUPAC name of N-[5-[3-[3-[2-amino-4-[2-(2-morpholin-4-yl-4-pyridinyl)-4-pyridin-2-yl-3-pyridinyl]-3-pyridinyl]-5-methoxy-2-pyridinyl]-5-methylsulfonyl-2-pyridinyl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide (CID 123733253) is N-[5-[3-[3-[2-amino-4-[2-(2-morpholin-4-yl-4-pyridinyl)-4-pyridin-2-yl-3-pyridinyl]-3-pyridinyl]-5-methoxy-2-pyridinyl]-5-methylsulfonyl-2-pyridinyl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[5-[3-[3-[2-amino-4-[2-(2-morpholin-4-yl-4-pyridinyl)-4-pyridin-2-yl-3-pyridinyl]-3-pyridinyl]-5-methoxy-2-pyridinyl]-5-methylsulfonyl-2-pyridinyl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide?
The canonical SMILES for N-[5-[3-[3-[2-amino-4-[2-(2-morpholin-4-yl-4-pyridinyl)-4-pyridin-2-yl-3-pyridinyl]-3-pyridinyl]-5-methoxy-2-pyridinyl]-5-methylsulfonyl-2-pyridinyl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide is COc1cnc(-c2cc(S(C)(=O)=O)cnc2-c2cnc(OC)c(NS(=O)(=O)C3CC3)c2)c(-c2c(-c3c(-c4ccccn4)ccnc3-c3ccnc(N4CCOCC4)c3)ccnc2N)c1.
What is the InChIKey of N-[5-[3-[3-[2-amino-4-[2-(2-morpholin-4-yl-4-pyridinyl)-4-pyridin-2-yl-3-pyridinyl]-3-pyridinyl]-5-methoxy-2-pyridinyl]-5-methylsulfonyl-2-pyridinyl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide?
The InChIKey is WXYIMFZCUJWNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H42N10O7S2/c1-60-29-22-34(43(51-25-29)35-23-31(63(3,56)57)26-52-41(35)28-20-37(45(61-2)53-24-28)54-64(58,59)30-7-8-30)40-33(11-15-50-44(40)46)39-32(36-6-4-5-12-47-36)10-14-49-42(39)27-9-13-48-38(21-27)55-16-18-62-19-17-55/h4-6,9-15,20-26,30,54H,7-8,16-19H2,1-3H3,(H2,46,50).
What are the key properties of N-[5-[3-[3-[2-amino-4-[2-(2-morpholin-4-yl-4-pyridinyl)-4-pyridin-2-yl-3-pyridinyl]-3-pyridinyl]-5-methoxy-2-pyridinyl]-5-methylsulfonyl-2-pyridinyl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide?
N-[5-[3-[3-[2-amino-4-[2-(2-morpholin-4-yl-4-pyridinyl)-4-pyridin-2-yl-3-pyridinyl]-3-pyridinyl]-5-methoxy-2-pyridinyl]-5-methylsulfonyl-2-pyridinyl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide has a molecular weight of 899.03 g/mol, XLogP of 6.20, 13 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[3-[2-amino-4-[2-(2-morpholin-4-yl-4-pyridinyl)-4-pyridin-2-yl-3-pyridinyl]-3-pyridinyl]-5-methoxy-2-pyridinyl]-5-methylsulfonyl-2-pyridinyl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide is sourced from PubChem (CID 123733253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).