CID 166460767

C22H25N7O3 — CID 166460767

IUPAC—
SMILESCc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CCC2(CC1)CN2
InChIInChI=1S/C22H25N7O3/c1-12-8-14(26-15-9-16(24-11-23-15)27-18(30)13-2-3-13)20(32)29-17(12)19(31)28-22(29)6-4-21(5-7-22)10-25-21/h8-9,11,13,25H,2-7,10H2,1H3,(H,28,31)(H2,23,24,26,27,30)
InChIKeyYWTOXDZUCRZYMW-UHFFFAOYSA-N
MW435.49 g/mol
LogP1.35
Rot. Bonds4

About CID 166460767

CID 166460767 (PubChem CID 166460767) has the molecular formula C22H25N7O3 and a molecular weight of 435.49 g/mol.

Molecular Properties

Compound NameCID 166460767
PubChem CID166460767
Molecular FormulaC22H25N7O3
Molecular Weight435.49 g/mol
Exact Mass435.20
IUPAC Name—
SMILESCc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CCC2(CC1)CN2
InChIInChI=1S/C22H25N7O3/c1-12-8-14(26-15-9-16(24-11-23-15)27-18(30)13-2-3-13)20(32)29-17(12)19(31)28-22(29)6-4-21(5-7-22)10-25-21/h8-9,11,13,25H,2-7,10H2,1H3,(H,28,31)(H2,23,24,26,27,30)
InChIKeyYWTOXDZUCRZYMW-UHFFFAOYSA-N
XLogP1.35
TPSA139.95 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 51.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 166460767?
The IUPAC name of CID 166460767 (CID 166460767) is not available.
What is the SMILES notation for CID 166460767?
The canonical SMILES for CID 166460767 is Cc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CCC2(CC1)CN2.
What is the InChIKey of CID 166460767?
The InChIKey is YWTOXDZUCRZYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O3/c1-12-8-14(26-15-9-16(24-11-23-15)27-18(30)13-2-3-13)20(32)29-17(12)19(31)28-22(29)6-4-21(5-7-22)10-25-21/h8-9,11,13,25H,2-7,10H2,1H3,(H,28,31)(H2,23,24,26,27,30).
What are the key properties of CID 166460767?
CID 166460767 has a molecular weight of 435.49 g/mol, XLogP of 1.35, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166460767 is sourced from PubChem (CID 166460767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).