(2-propan-2-yl-1H-pyrrol-3-yl)-[(6S)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]methanone

C19H24N4O — CID 138022195

IUPAC(2-propan-2-yl-1H-pyrrol-3-yl)-[(6S)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]methanone
SMILESCC(C)c1[nH]ccc1C(=O)N1Cc2ncccc2N2CCC[C@H]2C1
InChIInChI=1S/C19H24N4O/c1-13(2)18-15(7-9-21-18)19(24)22-11-14-5-4-10-23(14)17-6-3-8-20-16(17)12-22/h3,6-9,13-14,21H,4-5,10-12H2,1-2H3/t14-/m0/s1
InChIKeyWSEJLAHXRRNMMC-AWEZNQCLSA-N
MW324.43 g/mol
LogP3.16
Rot. Bonds2

About (2-propan-2-yl-1H-pyrrol-3-yl)-[(6S)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]methanone

(2-propan-2-yl-1H-pyrrol-3-yl)-[(6S)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]methanone (PubChem CID 138022195) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (2-propan-2-yl-1H-pyrrol-3-yl)-[(6S)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]methanone.

Molecular Properties

Compound Name(2-propan-2-yl-1H-pyrrol-3-yl)-[(6S)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]methanone
PubChem CID138022195
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(2-propan-2-yl-1H-pyrrol-3-yl)-[(6S)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]methanone
SMILESCC(C)c1[nH]ccc1C(=O)N1Cc2ncccc2N2CCC[C@H]2C1
InChIInChI=1S/C19H24N4O/c1-13(2)18-15(7-9-21-18)19(24)22-11-14-5-4-10-23(14)17-6-3-8-20-16(17)12-22/h3,6-9,13-14,21H,4-5,10-12H2,1-2H3/t14-/m0/s1
InChIKeyWSEJLAHXRRNMMC-AWEZNQCLSA-N
XLogP3.16
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-propan-2-yl-1H-pyrrol-3-yl)-[(6S)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]methanone with MolForge

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Related Compounds

3-methyl-4-[(6S)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carbonyl]-1H-imidazol-2-one
CID 138022220
(3-methoxy-1,2-thiazol-5-yl)-[(6S)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]methanone
CID 138022215
(6S)-N-[(6-oxo-1H-pyridazin-3-yl)methyl]-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide
CID 138019263
(6S)-N-(3-ethyl-1,2,4-oxadiazol-5-yl)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide
CID 136585729
1-[(3S)-1-(2-methoxypyridine-3-carbonyl)piperidin-3-yl]imidazolidin-2-one
CID 95591065
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(2-chloro-3-pyridinyl)methanone
CID 61051246
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(methylamino)-3-pyridinyl]methanone
CID 79945624
2-cyclopropyl-1-[(6R)-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]ethanone
CID 167911960
[(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-quinolin-5-ylmethanone
CID 95718259
(6S)-8-[(3-phenyltriazol-4-yl)methyl]-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene
CID 136586174
1-[3-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]piperidin-1-yl]ethanone
CID 91910364
(6R)-N-(2-propan-2-yltetrazol-5-yl)-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide
CID 167927713

Frequently Asked Questions

What is the IUPAC name of (2-propan-2-yl-1H-pyrrol-3-yl)-[(6S)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]methanone?
The IUPAC name of (2-propan-2-yl-1H-pyrrol-3-yl)-[(6S)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]methanone (CID 138022195) is (2-propan-2-yl-1H-pyrrol-3-yl)-[(6S)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]methanone.
What is the SMILES notation for (2-propan-2-yl-1H-pyrrol-3-yl)-[(6S)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]methanone?
The canonical SMILES for (2-propan-2-yl-1H-pyrrol-3-yl)-[(6S)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]methanone is CC(C)c1[nH]ccc1C(=O)N1Cc2ncccc2N2CCC[C@H]2C1.
What is the InChIKey of (2-propan-2-yl-1H-pyrrol-3-yl)-[(6S)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]methanone?
The InChIKey is WSEJLAHXRRNMMC-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N4O/c1-13(2)18-15(7-9-21-18)19(24)22-11-14-5-4-10-23(14)17-6-3-8-20-16(17)12-22/h3,6-9,13-14,21H,4-5,10-12H2,1-2H3/t14-/m0/s1.
What are the key properties of (2-propan-2-yl-1H-pyrrol-3-yl)-[(6S)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]methanone?
(2-propan-2-yl-1H-pyrrol-3-yl)-[(6S)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]methanone has a molecular weight of 324.43 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-yl-1H-pyrrol-3-yl)-[(6S)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]methanone is sourced from PubChem (CID 138022195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).