13-(1-methylpyrazol-3-yl)-4-morpholin-4-yl-N-pyridin-4-yl-8-oxa-3,5,12-triazatricyclo[8.4.0.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaen-6-amine

C23H22N8O2 — CID 168922859

IUPAC13-(1-methylpyrazol-3-yl)-4-morpholin-4-yl-N-pyridin-4-yl-8-oxa-3,5,12-triazatricyclo[8.4.0.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaen-6-amine
SMILESCn1ccc(-c2cc3c(cn2)COc2c(Nc4ccncc4)nc(N4CCOCC4)nc2-3)n1
InChIInChI=1S/C23H22N8O2/c1-30-7-4-18(29-30)19-12-17-15(13-25-19)14-33-21-20(17)27-23(31-8-10-32-11-9-31)28-22(21)26-16-2-5-24-6-3-16/h2-7,12-13H,8-11,14H2,1H3,(H,24,26,27,28)
InChIKeyNUHUCPBFELWANO-UHFFFAOYSA-N
MW442.48 g/mol
LogP2.81
Rot. Bonds4

About 13-(1-methylpyrazol-3-yl)-4-morpholin-4-yl-N-pyridin-4-yl-8-oxa-3,5,12-triazatricyclo[8.4.0.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaen-6-amine

13-(1-methylpyrazol-3-yl)-4-morpholin-4-yl-N-pyridin-4-yl-8-oxa-3,5,12-triazatricyclo[8.4.0.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaen-6-amine (PubChem CID 168922859) has the molecular formula C23H22N8O2 and a molecular weight of 442.48 g/mol. Its IUPAC name is 13-(1-methylpyrazol-3-yl)-4-morpholin-4-yl-N-pyridin-4-yl-8-oxa-3,5,12-triazatricyclo[8.4.0.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaen-6-amine.

Molecular Properties

Compound Name13-(1-methylpyrazol-3-yl)-4-morpholin-4-yl-N-pyridin-4-yl-8-oxa-3,5,12-triazatricyclo[8.4.0.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaen-6-amine
PubChem CID168922859
Molecular FormulaC23H22N8O2
Molecular Weight442.48 g/mol
Exact Mass442.19
IUPAC Name13-(1-methylpyrazol-3-yl)-4-morpholin-4-yl-N-pyridin-4-yl-8-oxa-3,5,12-triazatricyclo[8.4.0.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaen-6-amine
SMILESCn1ccc(-c2cc3c(cn2)COc2c(Nc4ccncc4)nc(N4CCOCC4)nc2-3)n1
InChIInChI=1S/C23H22N8O2/c1-30-7-4-18(29-30)19-12-17-15(13-25-19)14-33-21-20(17)27-23(31-8-10-32-11-9-31)28-22(21)26-16-2-5-24-6-3-16/h2-7,12-13H,8-11,14H2,1H3,(H,24,26,27,28)
InChIKeyNUHUCPBFELWANO-UHFFFAOYSA-N
XLogP2.81
TPSA103.11 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 13-(1-methylpyrazol-3-yl)-4-morpholin-4-yl-N-pyridin-4-yl-8-oxa-3,5,12-triazatricyclo[8.4.0.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaen-6-amine with MolForge

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Related Compounds

1-[3-[5-methoxy-2-morpholin-4-yl-6-(pyridin-4-ylamino)pyrimidin-4-yl]phenyl]piperidin-4-ol
CID 168923052
(3S)-1-[5-methoxy-4-[3-(1-methylpyrazol-3-yl)phenyl]-6-(pyridin-4-ylamino)pyrimidin-2-yl]piperidin-3-ol
CID 168922820
6-(1-methylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 66887661
N-[4-[(5-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 117080779
4-N-[2-(dimethylamino)ethyl]-6-morpholin-4-yl-2-N-pyridin-4-yl-1,3,5-triazine-2,4-diamine
CID 171061531
4-(2-ethylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyridin-4-yl-1,3,5-triazin-2-amine;fermium
CID 163440864
6-chloro-5-methoxy-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 168922781
4-[4-(4-methyl-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]morpholine
CID 174958810
(6-morpholin-4-yl-1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine
CID 170724777
ethane;N-[2-(4-methylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine
CID 143591666
6-[6-(methylamino)-3-pyridinyl]-2-morpholin-4-yl-N-phenylpyrimidin-4-amine
CID 71177854
4-N-(4-methylphenyl)-6-morpholin-4-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine
CID 153389162

Frequently Asked Questions

What is the IUPAC name of 13-(1-methylpyrazol-3-yl)-4-morpholin-4-yl-N-pyridin-4-yl-8-oxa-3,5,12-triazatricyclo[8.4.0.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaen-6-amine?
The IUPAC name of 13-(1-methylpyrazol-3-yl)-4-morpholin-4-yl-N-pyridin-4-yl-8-oxa-3,5,12-triazatricyclo[8.4.0.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaen-6-amine (CID 168922859) is 13-(1-methylpyrazol-3-yl)-4-morpholin-4-yl-N-pyridin-4-yl-8-oxa-3,5,12-triazatricyclo[8.4.0.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaen-6-amine.
What is the SMILES notation for 13-(1-methylpyrazol-3-yl)-4-morpholin-4-yl-N-pyridin-4-yl-8-oxa-3,5,12-triazatricyclo[8.4.0.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaen-6-amine?
The canonical SMILES for 13-(1-methylpyrazol-3-yl)-4-morpholin-4-yl-N-pyridin-4-yl-8-oxa-3,5,12-triazatricyclo[8.4.0.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaen-6-amine is Cn1ccc(-c2cc3c(cn2)COc2c(Nc4ccncc4)nc(N4CCOCC4)nc2-3)n1.
What is the InChIKey of 13-(1-methylpyrazol-3-yl)-4-morpholin-4-yl-N-pyridin-4-yl-8-oxa-3,5,12-triazatricyclo[8.4.0.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaen-6-amine?
The InChIKey is NUHUCPBFELWANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O2/c1-30-7-4-18(29-30)19-12-17-15(13-25-19)14-33-21-20(17)27-23(31-8-10-32-11-9-31)28-22(21)26-16-2-5-24-6-3-16/h2-7,12-13H,8-11,14H2,1H3,(H,24,26,27,28).
What are the key properties of 13-(1-methylpyrazol-3-yl)-4-morpholin-4-yl-N-pyridin-4-yl-8-oxa-3,5,12-triazatricyclo[8.4.0.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaen-6-amine?
13-(1-methylpyrazol-3-yl)-4-morpholin-4-yl-N-pyridin-4-yl-8-oxa-3,5,12-triazatricyclo[8.4.0.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaen-6-amine has a molecular weight of 442.48 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(1-methylpyrazol-3-yl)-4-morpholin-4-yl-N-pyridin-4-yl-8-oxa-3,5,12-triazatricyclo[8.4.0.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaen-6-amine is sourced from PubChem (CID 168922859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).