N-formyl-4-[9-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]pentanamide

C24H21N5O4 — CID 155710364

IUPACN-formyl-4-[9-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]pentanamide
SMILESCC(CCC(=O)NC=O)N1C(=O)c2cccc3c(C(O)c4c[nH]c5ncccc45)ncc1c23
InChIInChI=1S/C24H21N5O4/c1-13(7-8-19(31)28-12-30)29-18-11-26-21(15-4-2-5-16(20(15)18)24(29)33)22(32)17-10-27-23-14(17)6-3-9-25-23/h2-6,9-13,22,32H,7-8H2,1H3,(H,25,27)(H,28,30,31)
InChIKeyHNRDFVNMVBVGRY-UHFFFAOYSA-N
MW443.46 g/mol
LogP2.59
Rot. Bonds7

About N-formyl-4-[9-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]pentanamide

N-formyl-4-[9-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]pentanamide (PubChem CID 155710364) has the molecular formula C24H21N5O4 and a molecular weight of 443.46 g/mol. Its IUPAC name is N-formyl-4-[9-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]pentanamide.

Molecular Properties

Compound NameN-formyl-4-[9-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]pentanamide
PubChem CID155710364
Molecular FormulaC24H21N5O4
Molecular Weight443.46 g/mol
Exact Mass443.16
IUPAC NameN-formyl-4-[9-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]pentanamide
SMILESCC(CCC(=O)NC=O)N1C(=O)c2cccc3c(C(O)c4c[nH]c5ncccc45)ncc1c23
InChIInChI=1S/C24H21N5O4/c1-13(7-8-19(31)28-12-30)29-18-11-26-21(15-4-2-5-16(20(15)18)24(29)33)22(32)17-10-27-23-14(17)6-3-9-25-23/h2-6,9-13,22,32H,7-8H2,1H3,(H,25,27)(H,28,30,31)
InChIKeyHNRDFVNMVBVGRY-UHFFFAOYSA-N
XLogP2.59
TPSA128.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-formyl-4-[9-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]pentanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-formyl-4-[9-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]pentanamide?
The IUPAC name of N-formyl-4-[9-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]pentanamide (CID 155710364) is N-formyl-4-[9-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]pentanamide.
What is the SMILES notation for N-formyl-4-[9-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]pentanamide?
The canonical SMILES for N-formyl-4-[9-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]pentanamide is CC(CCC(=O)NC=O)N1C(=O)c2cccc3c(C(O)c4c[nH]c5ncccc45)ncc1c23.
What is the InChIKey of N-formyl-4-[9-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]pentanamide?
The InChIKey is HNRDFVNMVBVGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O4/c1-13(7-8-19(31)28-12-30)29-18-11-26-21(15-4-2-5-16(20(15)18)24(29)33)22(32)17-10-27-23-14(17)6-3-9-25-23/h2-6,9-13,22,32H,7-8H2,1H3,(H,25,27)(H,28,30,31).
What are the key properties of N-formyl-4-[9-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]pentanamide?
N-formyl-4-[9-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]pentanamide has a molecular weight of 443.46 g/mol, XLogP of 2.59, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-4-[9-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]pentanamide is sourced from PubChem (CID 155710364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).