(10S,14S)-12-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-18,23-dimethyl-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaene-16,19-dione

C32H37N5O5 — CID 131888977

IUPAC(10S,14S)-12-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-18,23-dimethyl-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaene-16,19-dione
SMILESCc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3cn[nH]c3C3CCCCC3)C[C@@H]1NC(=O)CN(C)C2=O
InChIInChI=1S/C32H37N5O5/c1-20-11-12-23-14-27(20)42-24-10-6-7-21(13-24)19-41-28-17-37(16-26(28)34-29(38)18-36(2)31(23)39)32(40)25-15-33-35-30(25)22-8-4-3-5-9-22/h6-7,10-15,22,26,28H,3-5,8-9,16-19H2,1-2H3,(H,33,35)(H,34,38)/t26-,28-/m0/s1
InChIKeyCPHDIVFCEJMLRR-XCZPVHLTSA-N
MW571.68 g/mol
LogP4.17
Rot. Bonds2

About (10S,14S)-12-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-18,23-dimethyl-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaene-16,19-dione

(10S,14S)-12-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-18,23-dimethyl-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaene-16,19-dione (PubChem CID 131888977) has the molecular formula C32H37N5O5 and a molecular weight of 571.68 g/mol. Its IUPAC name is (10S,14S)-12-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-18,23-dimethyl-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaene-16,19-dione.

Molecular Properties

Compound Name(10S,14S)-12-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-18,23-dimethyl-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaene-16,19-dione
PubChem CID131888977
Molecular FormulaC32H37N5O5
Molecular Weight571.68 g/mol
Exact Mass571.28
IUPAC Name(10S,14S)-12-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-18,23-dimethyl-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaene-16,19-dione
SMILESCc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3cn[nH]c3C3CCCCC3)C[C@@H]1NC(=O)CN(C)C2=O
InChIInChI=1S/C32H37N5O5/c1-20-11-12-23-14-27(20)42-24-10-6-7-21(13-24)19-41-28-17-37(16-26(28)34-29(38)18-36(2)31(23)39)32(40)25-15-33-35-30(25)22-8-4-3-5-9-22/h6-7,10-15,22,26,28H,3-5,8-9,16-19H2,1-2H3,(H,33,35)(H,34,38)/t26-,28-/m0/s1
InChIKeyCPHDIVFCEJMLRR-XCZPVHLTSA-N
XLogP4.17
TPSA116.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.68
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (10S,14S)-12-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-18,23-dimethyl-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaene-16,19-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(10R,15S)-13-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-19,24-dimethyl-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione
CID 131919002
(10S,14S)-12-(2-cyclopentylacetyl)-18,23-dimethyl-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaene-16,19-dione
CID 131918151
(10S,14S)-12-(3-cyclopropyl-1,2-oxazole-5-carbonyl)-18,23-dimethyl-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaene-16,19-dione
CID 131890356
(10S,14S)-18,23-dimethyl-12-(1-methyl-2-oxo-6-propan-2-ylpyridine-3-carbonyl)-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaene-16,19-dione
CID 131899489
(10S,14S)-18,23-dimethyl-12-[2-(4-methyl-1,4-diazepan-1-yl)acetyl]-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaene-16,19-dione
CID 131924120
(10S,14S)-18,23-dimethyl-12-(1-methyl-4-phenylpiperidine-4-carbonyl)-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaene-16,19-dione
CID 131904712
(10S,14S)-12-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-18,23-dimethyl-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaene-16,19-dione
CID 131907169
(10S,14S)-18,23-dimethyl-12-[3-(1-methylpiperidin-4-yl)propanoyl]-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaene-16,19-dione
CID 131950396
4-[[(10R,15S)-19,24-dimethyl-17,20-dioxo-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]methyl]-1H-pyrazole-5-carboxylic acid
CID 131891327
(10S,14S)-18,23-dimethyl-12-[3-(3-oxo-1,2-oxazol-5-yl)propanoyl]-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaene-16,19-dione
CID 131916631
(10S,14S)-12-[1-(2-ethoxyacetyl)piperidine-4-carbonyl]-18,23-dimethyl-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaene-16,19-dione
CID 131950771
(10S,14S)-12-[3-(2-ethylimidazol-1-yl)propanoyl]-18,23-dimethyl-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaene-16,19-dione
CID 131920414

Frequently Asked Questions

What is the IUPAC name of (10S,14S)-12-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-18,23-dimethyl-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaene-16,19-dione?
The IUPAC name of (10S,14S)-12-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-18,23-dimethyl-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaene-16,19-dione (CID 131888977) is (10S,14S)-12-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-18,23-dimethyl-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaene-16,19-dione.
What is the SMILES notation for (10S,14S)-12-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-18,23-dimethyl-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaene-16,19-dione?
The canonical SMILES for (10S,14S)-12-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-18,23-dimethyl-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaene-16,19-dione is Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3cn[nH]c3C3CCCCC3)C[C@@H]1NC(=O)CN(C)C2=O.
What is the InChIKey of (10S,14S)-12-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-18,23-dimethyl-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaene-16,19-dione?
The InChIKey is CPHDIVFCEJMLRR-XCZPVHLTSA-N. The full InChI is InChI=1S/C32H37N5O5/c1-20-11-12-23-14-27(20)42-24-10-6-7-21(13-24)19-41-28-17-37(16-26(28)34-29(38)18-36(2)31(23)39)32(40)25-15-33-35-30(25)22-8-4-3-5-9-22/h6-7,10-15,22,26,28H,3-5,8-9,16-19H2,1-2H3,(H,33,35)(H,34,38)/t26-,28-/m0/s1.
What are the key properties of (10S,14S)-12-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-18,23-dimethyl-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaene-16,19-dione?
(10S,14S)-12-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-18,23-dimethyl-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaene-16,19-dione has a molecular weight of 571.68 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (10S,14S)-12-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-18,23-dimethyl-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(23),3,5,7(25),20(24),21-hexaene-16,19-dione is sourced from PubChem (CID 131888977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).