CID 142977964

C30H37N5O4Si- — CID 142977964

IUPAC—
SMILESC[Si-](C)(C)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(-c2ccc(CO)cc2)n1
InChIInChI=1S/C30H37N5O4Si/c1-40(2,3)29-20-28(35(33-29)23-10-8-22(21-36)9-11-23)32-30(37)31-26-12-13-27(25-7-5-4-6-24(25)26)39-19-16-34-14-17-38-18-15-34/h4-13,20,36H,14-19,21H2,1-3H3,(H2,31,32,37)/q-1
InChIKeyFJEXDWSKQGKHAS-UHFFFAOYSA-N
MW559.74 g/mol
LogP4.42
Rot. Bonds9

About CID 142977964

CID 142977964 (PubChem CID 142977964) has the molecular formula C30H37N5O4Si- and a molecular weight of 559.74 g/mol.

Molecular Properties

Compound NameCID 142977964
PubChem CID142977964
Molecular FormulaC30H37N5O4Si-
Molecular Weight559.74 g/mol
Exact Mass559.26
IUPAC Name—
SMILESC[Si-](C)(C)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(-c2ccc(CO)cc2)n1
InChIInChI=1S/C30H37N5O4Si/c1-40(2,3)29-20-28(35(33-29)23-10-8-22(21-36)9-11-23)32-30(37)31-26-12-13-27(25-7-5-4-6-24(25)26)39-19-16-34-14-17-38-18-15-34/h4-13,20,36H,14-19,21H2,1-3H3,(H2,31,32,37)/q-1
InChIKeyFJEXDWSKQGKHAS-UHFFFAOYSA-N
XLogP4.42
TPSA100.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.74
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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1-[3-tert-butyl-1-[4-[(3,5-dioxo-1,2,4-thiadiazolidin-2-yl)methyl]phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 24986961
N-[[4-[3-tert-butyl-5-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
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1-[1-[3-(aminomethyl)phenyl]-3-butylpyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
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1-[3-tert-butyl-1-[3-(oxan-4-ylamino)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
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CID 160568395
CID 160568395
[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
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Frequently Asked Questions

What is the IUPAC name of CID 142977964?
The IUPAC name of CID 142977964 (CID 142977964) is not available.
What is the SMILES notation for CID 142977964?
The canonical SMILES for CID 142977964 is C[Si-](C)(C)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(-c2ccc(CO)cc2)n1.
What is the InChIKey of CID 142977964?
The InChIKey is FJEXDWSKQGKHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N5O4Si/c1-40(2,3)29-20-28(35(33-29)23-10-8-22(21-36)9-11-23)32-30(37)31-26-12-13-27(25-7-5-4-6-24(25)26)39-19-16-34-14-17-38-18-15-34/h4-13,20,36H,14-19,21H2,1-3H3,(H2,31,32,37)/q-1.
What are the key properties of CID 142977964?
CID 142977964 has a molecular weight of 559.74 g/mol, XLogP of 4.42, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142977964 is sourced from PubChem (CID 142977964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).