12-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylcyclohexyl)-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-3-amine

C24H29N7O — CID 163645764

IUPAC12-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylcyclohexyl)-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-3-amine
SMILESCn1cc(-c2cc3c(cn2)Cc2ncnc(NC4CCC(N5CCOCC5)CC4)c2-3)cn1
InChIInChI=1S/C24H29N7O/c1-30-14-17(13-28-30)21-11-20-16(12-25-21)10-22-23(20)24(27-15-26-22)29-18-2-4-19(5-3-18)31-6-8-32-9-7-31/h11-15,18-19H,2-10H2,1H3,(H,26,27,29)
InChIKeyHBWXCGGHTYJAPP-UHFFFAOYSA-N
MW431.54 g/mol
LogP2.90
Rot. Bonds4

About 12-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylcyclohexyl)-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-3-amine

12-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylcyclohexyl)-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-3-amine (PubChem CID 163645764) has the molecular formula C24H29N7O and a molecular weight of 431.54 g/mol. Its IUPAC name is 12-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylcyclohexyl)-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-3-amine.

Molecular Properties

Compound Name12-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylcyclohexyl)-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-3-amine
PubChem CID163645764
Molecular FormulaC24H29N7O
Molecular Weight431.54 g/mol
Exact Mass431.24
IUPAC Name12-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylcyclohexyl)-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-3-amine
SMILESCn1cc(-c2cc3c(cn2)Cc2ncnc(NC4CCC(N5CCOCC5)CC4)c2-3)cn1
InChIInChI=1S/C24H29N7O/c1-30-14-17(13-28-30)21-11-20-16(12-25-21)10-22-23(20)24(27-15-26-22)29-18-2-4-19(5-3-18)31-6-8-32-9-7-31/h11-15,18-19H,2-10H2,1H3,(H,26,27,29)
InChIKeyHBWXCGGHTYJAPP-UHFFFAOYSA-N
XLogP2.90
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 12-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylcyclohexyl)-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-3-amine with MolForge

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Related Compounds

6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-indeno[2,1-d]pyrimidin-4-amine
CID 163790909
6-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-morpholin-4-ylcyclohexyl)-9H-indeno[2,1-d]pyrimidin-4-amine
CID 163594104
4-N,4-N-dimethyl-1-N-[6-(1-methylpyrazol-4-yl)-9H-indeno[2,1-d]pyrimidin-4-yl]cyclohexane-1,4-diamine
CID 163640585
N-(4-morpholin-4-ylcyclohexyl)-6-(1-piperidin-4-ylpyrazol-4-yl)-9H-pyrimido[4,5-b]indol-4-amine
CID 147649468
7-fluoro-6-methyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 121255066
6-(2-methyl-1H-imidazol-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 130446838
7-fluoro-6-[5-(methylamino)-3-pyridinyl]-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 130446931
ethyl 4-[[4-(dimethylamino)cyclohexyl]amino]-9H-indeno[2,1-d]pyrimidine-6-carboxylate;ethyl 4-(4-methoxyanilino)-9H-indeno[2,1-d]pyrimidine-6-carboxylate;ethyl 4-[(4-morpholin-4-ylcyclohexyl)amino]-9H-indeno[2,1-d]pyrimidine-6-carboxylate;methyl 4-[(4-morpholin-4-ylcyclohexyl)amino]-9H-indeno[2,1-d]pyrimidine-7-carboxylate
CID 163419488
6-(5-fluoro-3-pyridinyl)-7-methyl-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine
CID 162067741
6-(methoxymethyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 118475288
6-ethenyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 118475339
5-bromo-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 140800582

Frequently Asked Questions

What is the IUPAC name of 12-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylcyclohexyl)-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-3-amine?
The IUPAC name of 12-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylcyclohexyl)-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-3-amine (CID 163645764) is 12-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylcyclohexyl)-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-3-amine.
What is the SMILES notation for 12-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylcyclohexyl)-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-3-amine?
The canonical SMILES for 12-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylcyclohexyl)-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-3-amine is Cn1cc(-c2cc3c(cn2)Cc2ncnc(NC4CCC(N5CCOCC5)CC4)c2-3)cn1.
What is the InChIKey of 12-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylcyclohexyl)-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-3-amine?
The InChIKey is HBWXCGGHTYJAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O/c1-30-14-17(13-28-30)21-11-20-16(12-25-21)10-22-23(20)24(27-15-26-22)29-18-2-4-19(5-3-18)31-6-8-32-9-7-31/h11-15,18-19H,2-10H2,1H3,(H,26,27,29).
What are the key properties of 12-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylcyclohexyl)-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-3-amine?
12-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylcyclohexyl)-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-3-amine has a molecular weight of 431.54 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylcyclohexyl)-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-3-amine is sourced from PubChem (CID 163645764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).