(1R,10R)-19-(cyclopropylmethyl)-13-hydroxy-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-4,7,11(16),12,14-pentaene-5-carboxamide

C24H27N3O3 — CID 127053759

IUPAC(1R,10R)-19-(cyclopropylmethyl)-13-hydroxy-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-4,7,11(16),12,14-pentaene-5-carboxamide
SMILESNC(=O)C1=CC2C[C@@]34Cc5ccc(O)cc5[C@@]3(CCN(CC3CC3)C4)CC2=NC1=O
InChIInChI=1S/C24H27N3O3/c25-21(29)18-7-16-10-23-9-15-3-4-17(28)8-19(15)24(23,11-20(16)26-22(18)30)5-6-27(13-23)12-14-1-2-14/h3-4,7-8,14,16,28H,1-2,5-6,9-13H2,(H2,25,29)/t16?,23-,24-/m1/s1
InChIKeyOCMORQTZWITQRD-CWXSLIKZSA-N
MW405.50 g/mol
LogP2.09
Rot. Bonds3

About (1R,10R)-19-(cyclopropylmethyl)-13-hydroxy-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-4,7,11(16),12,14-pentaene-5-carboxamide

(1R,10R)-19-(cyclopropylmethyl)-13-hydroxy-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-4,7,11(16),12,14-pentaene-5-carboxamide (PubChem CID 127053759) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is (1R,10R)-19-(cyclopropylmethyl)-13-hydroxy-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-4,7,11(16),12,14-pentaene-5-carboxamide.

Molecular Properties

Compound Name(1R,10R)-19-(cyclopropylmethyl)-13-hydroxy-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-4,7,11(16),12,14-pentaene-5-carboxamide
PubChem CID127053759
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name(1R,10R)-19-(cyclopropylmethyl)-13-hydroxy-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-4,7,11(16),12,14-pentaene-5-carboxamide
SMILESNC(=O)C1=CC2C[C@@]34Cc5ccc(O)cc5[C@@]3(CCN(CC3CC3)C4)CC2=NC1=O
InChIInChI=1S/C24H27N3O3/c25-21(29)18-7-16-10-23-9-15-3-4-17(28)8-19(15)24(23,11-20(16)26-22(18)30)5-6-27(13-23)12-14-1-2-14/h3-4,7-8,14,16,28H,1-2,5-6,9-13H2,(H2,25,29)/t16?,23-,24-/m1/s1
InChIKeyOCMORQTZWITQRD-CWXSLIKZSA-N
XLogP2.09
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze (1R,10R)-19-(cyclopropylmethyl)-13-hydroxy-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-4,7,11(16),12,14-pentaene-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,10R)-19-(cyclopropylmethyl)-13-hydroxy-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-4,7,11(16),12,14-pentaene-5-carboxamide?
The IUPAC name of (1R,10R)-19-(cyclopropylmethyl)-13-hydroxy-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-4,7,11(16),12,14-pentaene-5-carboxamide (CID 127053759) is (1R,10R)-19-(cyclopropylmethyl)-13-hydroxy-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-4,7,11(16),12,14-pentaene-5-carboxamide.
What is the SMILES notation for (1R,10R)-19-(cyclopropylmethyl)-13-hydroxy-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-4,7,11(16),12,14-pentaene-5-carboxamide?
The canonical SMILES for (1R,10R)-19-(cyclopropylmethyl)-13-hydroxy-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-4,7,11(16),12,14-pentaene-5-carboxamide is NC(=O)C1=CC2C[C@@]34Cc5ccc(O)cc5[C@@]3(CCN(CC3CC3)C4)CC2=NC1=O.
What is the InChIKey of (1R,10R)-19-(cyclopropylmethyl)-13-hydroxy-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-4,7,11(16),12,14-pentaene-5-carboxamide?
The InChIKey is OCMORQTZWITQRD-CWXSLIKZSA-N. The full InChI is InChI=1S/C24H27N3O3/c25-21(29)18-7-16-10-23-9-15-3-4-17(28)8-19(15)24(23,11-20(16)26-22(18)30)5-6-27(13-23)12-14-1-2-14/h3-4,7-8,14,16,28H,1-2,5-6,9-13H2,(H2,25,29)/t16?,23-,24-/m1/s1.
What are the key properties of (1R,10R)-19-(cyclopropylmethyl)-13-hydroxy-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-4,7,11(16),12,14-pentaene-5-carboxamide?
(1R,10R)-19-(cyclopropylmethyl)-13-hydroxy-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-4,7,11(16),12,14-pentaene-5-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10R)-19-(cyclopropylmethyl)-13-hydroxy-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-4,7,11(16),12,14-pentaene-5-carboxamide is sourced from PubChem (CID 127053759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).