(10S,14S)-23-methoxy-18-methyl-12-[4-(morpholine-4-carbonyl)-2-pyridinyl]-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaen-16-one

C32H37N5O6 — CID 131898928

IUPAC(10S,14S)-23-methoxy-18-methyl-12-[4-(morpholine-4-carbonyl)-2-pyridinyl]-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaen-16-one
SMILESCOc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(c3cc(C(=O)N4CCOCC4)ccn3)C[C@@H]1NC(=O)CN(C)C2
InChIInChI=1S/C32H37N5O6/c1-35-17-22-6-7-27(40-2)28(15-22)43-25-5-3-4-23(14-25)21-42-29-19-37(18-26(29)34-31(38)20-35)30-16-24(8-9-33-30)32(39)36-10-12-41-13-11-36/h3-9,14-16,26,29H,10-13,17-21H2,1-2H3,(H,34,38)/t26-,29-/m0/s1
InChIKeyALAUDQOJMAUULD-WNJJXGMVSA-N
MW587.68 g/mol
LogP2.69
Rot. Bonds3

About (10S,14S)-23-methoxy-18-methyl-12-[4-(morpholine-4-carbonyl)-2-pyridinyl]-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaen-16-one

(10S,14S)-23-methoxy-18-methyl-12-[4-(morpholine-4-carbonyl)-2-pyridinyl]-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaen-16-one (PubChem CID 131898928) has the molecular formula C32H37N5O6 and a molecular weight of 587.68 g/mol. Its IUPAC name is (10S,14S)-23-methoxy-18-methyl-12-[4-(morpholine-4-carbonyl)-2-pyridinyl]-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaen-16-one.

Molecular Properties

Compound Name(10S,14S)-23-methoxy-18-methyl-12-[4-(morpholine-4-carbonyl)-2-pyridinyl]-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaen-16-one
PubChem CID131898928
Molecular FormulaC32H37N5O6
Molecular Weight587.68 g/mol
Exact Mass587.27
IUPAC Name(10S,14S)-23-methoxy-18-methyl-12-[4-(morpholine-4-carbonyl)-2-pyridinyl]-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaen-16-one
SMILESCOc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(c3cc(C(=O)N4CCOCC4)ccn3)C[C@@H]1NC(=O)CN(C)C2
InChIInChI=1S/C32H37N5O6/c1-35-17-22-6-7-27(40-2)28(15-22)43-25-5-3-4-23(14-25)21-42-29-19-37(18-26(29)34-31(38)20-35)30-16-24(8-9-33-30)32(39)36-10-12-41-13-11-36/h3-9,14-16,26,29H,10-13,17-21H2,1-2H3,(H,34,38)/t26-,29-/m0/s1
InChIKeyALAUDQOJMAUULD-WNJJXGMVSA-N
XLogP2.69
TPSA105.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.68
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (10S,14S)-23-methoxy-18-methyl-12-[4-(morpholine-4-carbonyl)-2-pyridinyl]-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaen-16-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10S,14S)-23-methoxy-18-methyl-12-[4-(morpholine-4-carbonyl)-2-pyridinyl]-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaen-16-one?
The IUPAC name of (10S,14S)-23-methoxy-18-methyl-12-[4-(morpholine-4-carbonyl)-2-pyridinyl]-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaen-16-one (CID 131898928) is (10S,14S)-23-methoxy-18-methyl-12-[4-(morpholine-4-carbonyl)-2-pyridinyl]-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaen-16-one.
What is the SMILES notation for (10S,14S)-23-methoxy-18-methyl-12-[4-(morpholine-4-carbonyl)-2-pyridinyl]-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaen-16-one?
The canonical SMILES for (10S,14S)-23-methoxy-18-methyl-12-[4-(morpholine-4-carbonyl)-2-pyridinyl]-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaen-16-one is COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(c3cc(C(=O)N4CCOCC4)ccn3)C[C@@H]1NC(=O)CN(C)C2.
What is the InChIKey of (10S,14S)-23-methoxy-18-methyl-12-[4-(morpholine-4-carbonyl)-2-pyridinyl]-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaen-16-one?
The InChIKey is ALAUDQOJMAUULD-WNJJXGMVSA-N. The full InChI is InChI=1S/C32H37N5O6/c1-35-17-22-6-7-27(40-2)28(15-22)43-25-5-3-4-23(14-25)21-42-29-19-37(18-26(29)34-31(38)20-35)30-16-24(8-9-33-30)32(39)36-10-12-41-13-11-36/h3-9,14-16,26,29H,10-13,17-21H2,1-2H3,(H,34,38)/t26-,29-/m0/s1.
What are the key properties of (10S,14S)-23-methoxy-18-methyl-12-[4-(morpholine-4-carbonyl)-2-pyridinyl]-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaen-16-one?
(10S,14S)-23-methoxy-18-methyl-12-[4-(morpholine-4-carbonyl)-2-pyridinyl]-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaen-16-one has a molecular weight of 587.68 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (10S,14S)-23-methoxy-18-methyl-12-[4-(morpholine-4-carbonyl)-2-pyridinyl]-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaen-16-one is sourced from PubChem (CID 131898928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).