(7S)-15-(4-cyclopropylimidazol-1-yl)-7-methyl-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one

C25H25N7O2 — CID 155097430

IUPAC(7S)-15-(4-cyclopropylimidazol-1-yl)-7-methyl-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
SMILESC[C@H]1CCOCc2ccc(-n3cnc(C4CC4)c3)cc2C(=O)Nc2cccc(n2)-c2nncn21
InChIInChI=1S/C25H25N7O2/c1-16-9-10-34-13-18-7-8-19(31-12-22(26-14-31)17-5-6-17)11-20(18)25(33)29-23-4-2-3-21(28-23)24-30-27-15-32(16)24/h2-4,7-8,11-12,14-17H,5-6,9-10,13H2,1H3,(H,28,29,33)/t16-/m0/s1
InChIKeyITKKWMFCBKBZGX-INIZCTEOSA-N
MW455.52 g/mol
LogP4.14
Rot. Bonds2

About (7S)-15-(4-cyclopropylimidazol-1-yl)-7-methyl-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one

(7S)-15-(4-cyclopropylimidazol-1-yl)-7-methyl-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one (PubChem CID 155097430) has the molecular formula C25H25N7O2 and a molecular weight of 455.52 g/mol. Its IUPAC name is (7S)-15-(4-cyclopropylimidazol-1-yl)-7-methyl-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one.

Molecular Properties

Compound Name(7S)-15-(4-cyclopropylimidazol-1-yl)-7-methyl-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
PubChem CID155097430
Molecular FormulaC25H25N7O2
Molecular Weight455.52 g/mol
Exact Mass455.21
IUPAC Name(7S)-15-(4-cyclopropylimidazol-1-yl)-7-methyl-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
SMILESC[C@H]1CCOCc2ccc(-n3cnc(C4CC4)c3)cc2C(=O)Nc2cccc(n2)-c2nncn21
InChIInChI=1S/C25H25N7O2/c1-16-9-10-34-13-18-7-8-19(31-12-22(26-14-31)17-5-6-17)11-20(18)25(33)29-23-4-2-3-21(28-23)24-30-27-15-32(16)24/h2-4,7-8,11-12,14-17H,5-6,9-10,13H2,1H3,(H,28,29,33)/t16-/m0/s1
InChIKeyITKKWMFCBKBZGX-INIZCTEOSA-N
XLogP4.14
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (7S)-15-(4-cyclopropylimidazol-1-yl)-7-methyl-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one with MolForge

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Related Compounds

2-(3-Oxo-1,3-dihydroisobenzofuran-5-ylamino)-6-(3-acetamidophenyl)pyrazine
CID 11717449
3-(4-cyclopropyl-1H-imidazol-1-yl)-N-(6-(4-isopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl)benzamide
CID 57504995
15-(4-Methylimidazol-1-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
CID 138458386
US10787435, Example 004
CID 141745241
5-[4-(dimethylamino)-2-methylphenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 162666504
1-Cyclopropyl-3-[3-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea
CID 44548395
USRE48711, Example 235
CID 58102939
US10683279, Example 33a
CID 135376041
2-cyclopropyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-(triazol-1-ylmethyl)pyrimidine-4-carboxamide
CID 139350222
US10787435, Example 003
CID 141745227
US11034671, Example 101
CID 155097302
US11034671, Example 107
CID 155097401

Frequently Asked Questions

What is the IUPAC name of (7S)-15-(4-cyclopropylimidazol-1-yl)-7-methyl-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
The IUPAC name of (7S)-15-(4-cyclopropylimidazol-1-yl)-7-methyl-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one (CID 155097430) is (7S)-15-(4-cyclopropylimidazol-1-yl)-7-methyl-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one.
What is the SMILES notation for (7S)-15-(4-cyclopropylimidazol-1-yl)-7-methyl-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
The canonical SMILES for (7S)-15-(4-cyclopropylimidazol-1-yl)-7-methyl-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one is C[C@H]1CCOCc2ccc(-n3cnc(C4CC4)c3)cc2C(=O)Nc2cccc(n2)-c2nncn21.
What is the InChIKey of (7S)-15-(4-cyclopropylimidazol-1-yl)-7-methyl-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
The InChIKey is ITKKWMFCBKBZGX-INIZCTEOSA-N. The full InChI is InChI=1S/C25H25N7O2/c1-16-9-10-34-13-18-7-8-19(31-12-22(26-14-31)17-5-6-17)11-20(18)25(33)29-23-4-2-3-21(28-23)24-30-27-15-32(16)24/h2-4,7-8,11-12,14-17H,5-6,9-10,13H2,1H3,(H,28,29,33)/t16-/m0/s1.
What are the key properties of (7S)-15-(4-cyclopropylimidazol-1-yl)-7-methyl-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
(7S)-15-(4-cyclopropylimidazol-1-yl)-7-methyl-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one has a molecular weight of 455.52 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-15-(4-cyclopropylimidazol-1-yl)-7-methyl-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one is sourced from PubChem (CID 155097430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).