6-methyl-14-propan-2-yl-10-pyridin-3-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione

C21H18N4O3 — CID 71700448

IUPAC6-methyl-14-propan-2-yl-10-pyridin-3-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
SMILESCc1c(=O)ccc2c1oc1c(-c3cccnc3)c3c(=O)[nH]n(C(C)C)c3[nH]c12
InChIInChI=1S/C21H18N4O3/c1-10(2)25-20-16(21(27)24-25)15(12-5-4-8-22-9-12)19-17(23-20)13-6-7-14(26)11(3)18(13)28-19/h4-10,23H,1-3H3,(H,24,27)
InChIKeyPUFXWUQHGHDVEF-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.87
Rot. Bonds2

About 6-methyl-14-propan-2-yl-10-pyridin-3-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione

6-methyl-14-propan-2-yl-10-pyridin-3-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione (PubChem CID 71700448) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 6-methyl-14-propan-2-yl-10-pyridin-3-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione.

Molecular Properties

Compound Name6-methyl-14-propan-2-yl-10-pyridin-3-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
PubChem CID71700448
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name6-methyl-14-propan-2-yl-10-pyridin-3-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
SMILESCc1c(=O)ccc2c1oc1c(-c3cccnc3)c3c(=O)[nH]n(C(C)C)c3[nH]c12
InChIInChI=1S/C21H18N4O3/c1-10(2)25-20-16(21(27)24-25)15(12-5-4-8-22-9-12)19-17(23-20)13-6-7-14(26)11(3)18(13)28-19/h4-10,23H,1-3H3,(H,24,27)
InChIKeyPUFXWUQHGHDVEF-UHFFFAOYSA-N
XLogP3.87
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-methyl-14-propan-2-yl-10-pyridin-3-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione with MolForge

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Related Compounds

2-(1-ethyl-2H-pyridin-6-yl)-5-methyl-4-(pyridin-3-ylmethyl)-1H-pyrazol-3-one
CID 141273239
5-methyl-2-(1-propan-2-yl-2H-pyridin-6-yl)-4-(pyridin-3-ylmethyl)-1H-pyrazol-3-one;hydrochloride
CID 162318793
5-Phenyl-3-(pyridin-3-ylmethyl)-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione
CID 11841202
CID 11841207
CID 11841207
1-cyclopentyl-7-hydroxy-4-(quinolin-8-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71701391
1-cyclopentyl-6,7-dihydroxy-4-(pyridin-3-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71701803
1-cyclopentyl-7-hydroxy-4-(quinolin-6-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71703898
1-cyclopentyl-7-hydroxy-4-(pyridin-3-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71703929
1-cycloheptyl-7-hydroxy-4-(quinolin-8-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71705079
1-cyclohexyl-7-hydroxy-6-methyl-4-(quinolin-8-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71705460
1-cyclohexyl-7-hydroxy-4-(quinolin-6-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71706484
1-cycloheptyl-6,7-dihydroxy-4-(pyridin-3-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71708770

Frequently Asked Questions

What is the IUPAC name of 6-methyl-14-propan-2-yl-10-pyridin-3-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
The IUPAC name of 6-methyl-14-propan-2-yl-10-pyridin-3-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione (CID 71700448) is 6-methyl-14-propan-2-yl-10-pyridin-3-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione.
What is the SMILES notation for 6-methyl-14-propan-2-yl-10-pyridin-3-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
The canonical SMILES for 6-methyl-14-propan-2-yl-10-pyridin-3-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione is Cc1c(=O)ccc2c1oc1c(-c3cccnc3)c3c(=O)[nH]n(C(C)C)c3[nH]c12.
What is the InChIKey of 6-methyl-14-propan-2-yl-10-pyridin-3-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
The InChIKey is PUFXWUQHGHDVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-10(2)25-20-16(21(27)24-25)15(12-5-4-8-22-9-12)19-17(23-20)13-6-7-14(26)11(3)18(13)28-19/h4-10,23H,1-3H3,(H,24,27).
What are the key properties of 6-methyl-14-propan-2-yl-10-pyridin-3-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
6-methyl-14-propan-2-yl-10-pyridin-3-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione has a molecular weight of 374.40 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-14-propan-2-yl-10-pyridin-3-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione is sourced from PubChem (CID 71700448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).