7-bromo-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine;N-(4-morpholin-4-ylcyclohexyl)-7-pyridin-4-yl-9H-pyrimido[4,5-b]indol-4-amine

C45H52BrN11O2 — CID 163566539

IUPAC7-bromo-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine;N-(4-morpholin-4-ylcyclohexyl)-7-pyridin-4-yl-9H-pyrimido[4,5-b]indol-4-amine
SMILESBrc1ccc2c(c1)[nH]c1ncnc(NC3CCC(N4CCOCC4)CC3)c12.c1cc(-c2ccc3c(c2)[nH]c2ncnc(NC4CCC(N5CCOCC5)CC4)c23)ccn1
InChIInChI=1S/C25H28N6O.C20H24BrN5O/c1-6-21-22(15-18(1)17-7-9-26-10-8-17)30-25-23(21)24(27-16-28-25)29-19-2-4-20(5-3-19)31-11-13-32-14-12-31;21-13-1-6-16-17(11-13)25-20-18(16)19(22-12-23-20)24-14-2-4-15(5-3-14)26-7-9-27-10-8-26/h1,6-10,15-16,19-20H,2-5,11-14H2,(H2,27,28,29,30);1,6,11-12,14-15H,2-5,7-10H2,(H2,22,23,24,25)
InChIKeyFVRRKNODEQJMLC-UHFFFAOYSA-N
MW858.89 g/mol
LogP8.16
Rot. Bonds7

About 7-bromo-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine;N-(4-morpholin-4-ylcyclohexyl)-7-pyridin-4-yl-9H-pyrimido[4,5-b]indol-4-amine

7-bromo-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine;N-(4-morpholin-4-ylcyclohexyl)-7-pyridin-4-yl-9H-pyrimido[4,5-b]indol-4-amine (PubChem CID 163566539) has the molecular formula C45H52BrN11O2 and a molecular weight of 858.89 g/mol. Its IUPAC name is 7-bromo-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine;N-(4-morpholin-4-ylcyclohexyl)-7-pyridin-4-yl-9H-pyrimido[4,5-b]indol-4-amine.

Molecular Properties

Compound Name7-bromo-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine;N-(4-morpholin-4-ylcyclohexyl)-7-pyridin-4-yl-9H-pyrimido[4,5-b]indol-4-amine
PubChem CID163566539
Molecular FormulaC45H52BrN11O2
Molecular Weight858.89 g/mol
Exact Mass857.35
IUPAC Name7-bromo-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine;N-(4-morpholin-4-ylcyclohexyl)-7-pyridin-4-yl-9H-pyrimido[4,5-b]indol-4-amine
SMILESBrc1ccc2c(c1)[nH]c1ncnc(NC3CCC(N4CCOCC4)CC3)c12.c1cc(-c2ccc3c(c2)[nH]c2ncnc(NC4CCC(N5CCOCC5)CC4)c23)ccn1
InChIInChI=1S/C25H28N6O.C20H24BrN5O/c1-6-21-22(15-18(1)17-7-9-26-10-8-17)30-25-23(21)24(27-16-28-25)29-19-2-4-20(5-3-19)31-11-13-32-14-12-31;21-13-1-6-16-17(11-13)25-20-18(16)19(22-12-23-20)24-14-2-4-15(5-3-14)26-7-9-27-10-8-26/h1,6-10,15-16,19-20H,2-5,11-14H2,(H2,27,28,29,30);1,6,11-12,14-15H,2-5,7-10H2,(H2,22,23,24,25)
InChIKeyFVRRKNODEQJMLC-UHFFFAOYSA-N
XLogP8.16
TPSA145.03 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500858.89
LogP ≤ 58.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 7-bromo-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine;N-(4-morpholin-4-ylcyclohexyl)-7-pyridin-4-yl-9H-pyrimido[4,5-b]indol-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(4-morpholin-4-ylcyclohexyl)-6-(1-piperidin-4-ylpyrazol-4-yl)-9H-pyrimido[4,5-b]indol-4-amine
CID 147649468
6-(5-fluoro-3-pyridinyl)-7-methyl-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine
CID 162067741
5-bromo-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 140800582
6-(2-methyl-1H-imidazol-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 130446838
6-bromo-2-chloro-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 118475298
N-[4-(6-azaspiro[2.5]octan-6-yl)cyclohexyl]-6-bromoquinazolin-4-amine
CID 118475382
6-ethenyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 118475339
7-fluoro-6-methyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 121255066
3-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]cyclohex-3-en-1-one
CID 130236172
6-(methoxymethyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 118475288
2-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]acetonitrile
CID 118475287
6-[5-(methylamino)-3-pyridinyl]-N-[4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]cyclohexyl]quinazolin-4-amine
CID 130446899

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine;N-(4-morpholin-4-ylcyclohexyl)-7-pyridin-4-yl-9H-pyrimido[4,5-b]indol-4-amine?
The IUPAC name of 7-bromo-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine;N-(4-morpholin-4-ylcyclohexyl)-7-pyridin-4-yl-9H-pyrimido[4,5-b]indol-4-amine (CID 163566539) is 7-bromo-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine;N-(4-morpholin-4-ylcyclohexyl)-7-pyridin-4-yl-9H-pyrimido[4,5-b]indol-4-amine.
What is the SMILES notation for 7-bromo-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine;N-(4-morpholin-4-ylcyclohexyl)-7-pyridin-4-yl-9H-pyrimido[4,5-b]indol-4-amine?
The canonical SMILES for 7-bromo-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine;N-(4-morpholin-4-ylcyclohexyl)-7-pyridin-4-yl-9H-pyrimido[4,5-b]indol-4-amine is Brc1ccc2c(c1)[nH]c1ncnc(NC3CCC(N4CCOCC4)CC3)c12.c1cc(-c2ccc3c(c2)[nH]c2ncnc(NC4CCC(N5CCOCC5)CC4)c23)ccn1.
What is the InChIKey of 7-bromo-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine;N-(4-morpholin-4-ylcyclohexyl)-7-pyridin-4-yl-9H-pyrimido[4,5-b]indol-4-amine?
The InChIKey is FVRRKNODEQJMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O.C20H24BrN5O/c1-6-21-22(15-18(1)17-7-9-26-10-8-17)30-25-23(21)24(27-16-28-25)29-19-2-4-20(5-3-19)31-11-13-32-14-12-31;21-13-1-6-16-17(11-13)25-20-18(16)19(22-12-23-20)24-14-2-4-15(5-3-14)26-7-9-27-10-8-26/h1,6-10,15-16,19-20H,2-5,11-14H2,(H2,27,28,29,30);1,6,11-12,14-15H,2-5,7-10H2,(H2,22,23,24,25).
What are the key properties of 7-bromo-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine;N-(4-morpholin-4-ylcyclohexyl)-7-pyridin-4-yl-9H-pyrimido[4,5-b]indol-4-amine?
7-bromo-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine;N-(4-morpholin-4-ylcyclohexyl)-7-pyridin-4-yl-9H-pyrimido[4,5-b]indol-4-amine has a molecular weight of 858.89 g/mol, XLogP of 8.16, 7 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine;N-(4-morpholin-4-ylcyclohexyl)-7-pyridin-4-yl-9H-pyrimido[4,5-b]indol-4-amine is sourced from PubChem (CID 163566539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).