CID 59482503

C21H34ClN5O4 — CID 59482503

IUPAC—
SMILESCC1(C)CC(Oc2nc(Cl)nc(OC3CC(C)(C)N([O])C(C)(C)C3)n2)CC(C)(C)N1[O]
InChIInChI=1S/C21H34ClN5O4/c1-18(2)9-13(10-19(3,4)26(18)28)30-16-23-15(22)24-17(25-16)31-14-11-20(5,6)27(29)21(7,8)12-14/h13-14H,9-12H2,1-8H3
InChIKeyNECGYVGMWMQACP-UHFFFAOYSA-N
MW455.99 g/mol
LogP4.02
Rot. Bonds4

About CID 59482503

CID 59482503 (PubChem CID 59482503) has the molecular formula C21H34ClN5O4 and a molecular weight of 455.99 g/mol.

Molecular Properties

Compound NameCID 59482503
PubChem CID59482503
Molecular FormulaC21H34ClN5O4
Molecular Weight455.99 g/mol
Exact Mass455.23
IUPAC Name—
SMILESCC1(C)CC(Oc2nc(Cl)nc(OC3CC(C)(C)N([O])C(C)(C)C3)n2)CC(C)(C)N1[O]
InChIInChI=1S/C21H34ClN5O4/c1-18(2)9-13(10-19(3,4)26(18)28)30-16-23-15(22)24-17(25-16)31-14-11-20(5,6)27(29)21(7,8)12-14/h13-14H,9-12H2,1-8H3
InChIKeyNECGYVGMWMQACP-UHFFFAOYSA-N
XLogP4.02
TPSA103.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.99
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of CID 59482503?
The IUPAC name of CID 59482503 (CID 59482503) is not available.
What is the SMILES notation for CID 59482503?
The canonical SMILES for CID 59482503 is CC1(C)CC(Oc2nc(Cl)nc(OC3CC(C)(C)N([O])C(C)(C)C3)n2)CC(C)(C)N1[O].
What is the InChIKey of CID 59482503?
The InChIKey is NECGYVGMWMQACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34ClN5O4/c1-18(2)9-13(10-19(3,4)26(18)28)30-16-23-15(22)24-17(25-16)31-14-11-20(5,6)27(29)21(7,8)12-14/h13-14H,9-12H2,1-8H3.
What are the key properties of CID 59482503?
CID 59482503 has a molecular weight of 455.99 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59482503 is sourced from PubChem (CID 59482503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).