CID 176593917

C32H44N6O7 — CID 176593917

IUPAC—
SMILESCO[C@H]1CCN(C)[C@@H]1[C@H](C)Oc1nc(-c2onc3c2CCC[C@@]32CCCCC23OCCO3)nc2c1n(C)c(=O)n2[C@@H]1CCOC1
InChIInChI=1S/C32H44N6O7/c1-19(23-22(40-4)9-14-36(23)2)44-29-24-28(38(30(39)37(24)3)20-10-15-41-18-20)33-27(34-29)25-21-8-7-12-31(26(21)35-45-25)11-5-6-13-32(31)42-16-17-43-32/h19-20,22-23H,5-18H2,1-4H3/t19-,20+,22-,23+,31-/m0/s1
InChIKeyQNHKKDSFLQTUQK-DECUJFKVSA-N
MW624.74 g/mol
LogP3.12
Rot. Bonds6

About CID 176593917

CID 176593917 (PubChem CID 176593917) has the molecular formula C32H44N6O7 and a molecular weight of 624.74 g/mol.

Molecular Properties

Compound NameCID 176593917
PubChem CID176593917
Molecular FormulaC32H44N6O7
Molecular Weight624.74 g/mol
Exact Mass624.33
IUPAC Name—
SMILESCO[C@H]1CCN(C)[C@@H]1[C@H](C)Oc1nc(-c2onc3c2CCC[C@@]32CCCCC23OCCO3)nc2c1n(C)c(=O)n2[C@@H]1CCOC1
InChIInChI=1S/C32H44N6O7/c1-19(23-22(40-4)9-14-36(23)2)44-29-24-28(38(30(39)37(24)3)20-10-15-41-18-20)33-27(34-29)25-21-8-7-12-31(26(21)35-45-25)11-5-6-13-32(31)42-16-17-43-32/h19-20,22-23H,5-18H2,1-4H3/t19-,20+,22-,23+,31-/m0/s1
InChIKeyQNHKKDSFLQTUQK-DECUJFKVSA-N
XLogP3.12
TPSA128.13 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.74
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze CID 176593917 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 CID 176593917?
The IUPAC name of CID 176593917 (CID 176593917) is not available.
What is the SMILES notation for CID 176593917?
The canonical SMILES for CID 176593917 is CO[C@H]1CCN(C)[C@@H]1[C@H](C)Oc1nc(-c2onc3c2CCC[C@@]32CCCCC23OCCO3)nc2c1n(C)c(=O)n2[C@@H]1CCOC1.
What is the InChIKey of CID 176593917?
The InChIKey is QNHKKDSFLQTUQK-DECUJFKVSA-N. The full InChI is InChI=1S/C32H44N6O7/c1-19(23-22(40-4)9-14-36(23)2)44-29-24-28(38(30(39)37(24)3)20-10-15-41-18-20)33-27(34-29)25-21-8-7-12-31(26(21)35-45-25)11-5-6-13-32(31)42-16-17-43-32/h19-20,22-23H,5-18H2,1-4H3/t19-,20+,22-,23+,31-/m0/s1.
What are the key properties of CID 176593917?
CID 176593917 has a molecular weight of 624.74 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176593917 is sourced from PubChem (CID 176593917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).