(10R,15S)-13-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-24-methoxy-19-(3-methoxypropyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-17-one

C33H41N5O6 — CID 131897872

IUPAC(10R,15S)-13-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-24-methoxy-19-(3-methoxypropyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-17-one
SMILESCOCCCN1CC(=O)N[C@H]2CN(C(=O)c3cc(C4CC4)[nH]n3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1
InChIInChI=1S/C33H41N5O6/c1-41-14-4-12-37-18-22-7-10-30(42-2)31(16-22)44-25-6-3-5-23(15-25)21-43-29-11-13-38(19-28(29)34-32(39)20-37)33(40)27-17-26(35-36-27)24-8-9-24/h3,5-7,10,15-17,24,28-29H,4,8-9,11-14,18-21H2,1-2H3,(H,34,39)(H,35,36)/t28-,29+/m0/s1
InChIKeyLKQXOEPKLXRWII-URLMMPGGSA-N
MW603.72 g/mol
LogP3.86
Rot. Bonds7

About (10R,15S)-13-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-24-methoxy-19-(3-methoxypropyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-17-one

(10R,15S)-13-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-24-methoxy-19-(3-methoxypropyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-17-one (PubChem CID 131897872) has the molecular formula C33H41N5O6 and a molecular weight of 603.72 g/mol. Its IUPAC name is (10R,15S)-13-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-24-methoxy-19-(3-methoxypropyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-17-one.

Molecular Properties

Compound Name(10R,15S)-13-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-24-methoxy-19-(3-methoxypropyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-17-one
PubChem CID131897872
Molecular FormulaC33H41N5O6
Molecular Weight603.72 g/mol
Exact Mass603.31
IUPAC Name(10R,15S)-13-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-24-methoxy-19-(3-methoxypropyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-17-one
SMILESCOCCCN1CC(=O)N[C@H]2CN(C(=O)c3cc(C4CC4)[nH]n3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1
InChIInChI=1S/C33H41N5O6/c1-41-14-4-12-37-18-22-7-10-30(42-2)31(16-22)44-25-6-3-5-23(15-25)21-43-29-11-13-38(19-28(29)34-32(39)20-37)33(40)27-17-26(35-36-27)24-8-9-24/h3,5-7,10,15-17,24,28-29H,4,8-9,11-14,18-21H2,1-2H3,(H,34,39)(H,35,36)/t28-,29+/m0/s1
InChIKeyLKQXOEPKLXRWII-URLMMPGGSA-N
XLogP3.86
TPSA118.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500603.72
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (10R,15S)-13-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-24-methoxy-19-(3-methoxypropyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-17-one with MolForge

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Related Compounds

(10R,15S)-24-methoxy-19-(3-methoxypropyl)-13-(pyridine-2-carbonyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-17-one
CID 131913065
(10R,15S)-13-(2-amino-1,3-thiazole-4-carbonyl)-24-methoxy-19-(3-methoxypropyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-17-one
CID 131921985
(10R,15S)-13-(cyclobutanecarbonyl)-24-methoxy-19-(3-methoxypropyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-17-one
CID 131903539
(10R,15S)-24-methoxy-19-(3-methoxypropyl)-13-(oxane-4-carbonyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-17-one
CID 131911368
1-[2-[(10R,15S)-24-methoxy-19-(3-methoxypropyl)-17-oxo-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-13-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione
CID 131925167
(10R,15S)-24-methoxy-19-(3-methoxypropyl)-13-(pyridin-3-ylmethyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-17-one
CID 131892439
(10R,15S)-25-methoxy-19-(3-methoxypropyl)-13-(1-methyl-6-oxopyridazine-3-carbonyl)-2,9-dioxa-13,16,19-triazatetracyclo[21.2.2.13,7.010,15]octacosa-1(25),3,5,7(28),23,26-hexaene-17,20-dione
CID 131899882
(10R,15S)-13-(1,3-dimethylpyrazole-4-carbonyl)-25-methoxy-19-(3-methoxypropyl)-2,9-dioxa-13,16,19-triazatetracyclo[21.2.2.13,7.010,15]octacosa-1(25),3,5,7(28),23,26-hexaene-17,20-dione
CID 131898670
(10R,15S)-25-methoxy-19-(3-methoxypropyl)-13-(pyrimidine-5-carbonyl)-2,9-dioxa-13,16,19-triazatetracyclo[21.2.2.13,7.010,15]octacosa-1(25),3,5,7(28),23,26-hexaene-17,20-dione
CID 131950255
2-[(10R,15S)-25-methoxy-19-(3-methoxypropyl)-17,20-dioxo-2,9-dioxa-13,16,19-triazatetracyclo[21.2.2.13,7.010,15]octacosa-1(25),3,5,7(28),23,26-hexaene-13-carbonyl]benzonitrile
CID 131947024
(10R,15S)-13-(2-cyclobutylacetyl)-25-methoxy-19-(3-methoxypropyl)-2,9-dioxa-13,16,19-triazatetracyclo[21.2.2.13,7.010,15]octacosa-1(25),3,5,7(28),23,26-hexaene-17,20-dione
CID 131910472
(10R,15S)-23-methoxy-13-(5-methyl-1,2-oxazole-4-carbonyl)-2,9-dioxa-13,16-diazatetracyclo[18.3.1.13,7.010,15]pentacosa-1(23),3,5,7(25),20(24),21-hexaen-17-one
CID 131939151

Frequently Asked Questions

What is the IUPAC name of (10R,15S)-13-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-24-methoxy-19-(3-methoxypropyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-17-one?
The IUPAC name of (10R,15S)-13-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-24-methoxy-19-(3-methoxypropyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-17-one (CID 131897872) is (10R,15S)-13-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-24-methoxy-19-(3-methoxypropyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-17-one.
What is the SMILES notation for (10R,15S)-13-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-24-methoxy-19-(3-methoxypropyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-17-one?
The canonical SMILES for (10R,15S)-13-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-24-methoxy-19-(3-methoxypropyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-17-one is COCCCN1CC(=O)N[C@H]2CN(C(=O)c3cc(C4CC4)[nH]n3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1.
What is the InChIKey of (10R,15S)-13-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-24-methoxy-19-(3-methoxypropyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-17-one?
The InChIKey is LKQXOEPKLXRWII-URLMMPGGSA-N. The full InChI is InChI=1S/C33H41N5O6/c1-41-14-4-12-37-18-22-7-10-30(42-2)31(16-22)44-25-6-3-5-23(15-25)21-43-29-11-13-38(19-28(29)34-32(39)20-37)33(40)27-17-26(35-36-27)24-8-9-24/h3,5-7,10,15-17,24,28-29H,4,8-9,11-14,18-21H2,1-2H3,(H,34,39)(H,35,36)/t28-,29+/m0/s1.
What are the key properties of (10R,15S)-13-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-24-methoxy-19-(3-methoxypropyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-17-one?
(10R,15S)-13-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-24-methoxy-19-(3-methoxypropyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-17-one has a molecular weight of 603.72 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (10R,15S)-13-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-24-methoxy-19-(3-methoxypropyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-17-one is sourced from PubChem (CID 131897872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).