CID 162380704

C16H22N5O3Si- — CID 162380704

IUPAC—
SMILESC#Cc1nn([C@@]2([Si-])C[C@H](COC)N(C(=O)C=C)C2)c(NC)c1C(N)O
InChIInChI=1S/C16H22N5O3Si/c1-5-11-13(14(17)23)15(18-3)21(19-11)16(25)7-10(8-24-4)20(9-16)12(22)6-2/h1,6,10,14,18,23H,2,7-9,17H2,3-4H3/q-1/t10-,14?,16-/m1/s1
InChIKeyGWGLGKPXDLLESL-FGOGKNADSA-N
MW360.47 g/mol
LogP-0.89
Rot. Bonds6

About CID 162380704

CID 162380704 (PubChem CID 162380704) has the molecular formula C16H22N5O3Si- and a molecular weight of 360.47 g/mol.

Molecular Properties

Compound NameCID 162380704
PubChem CID162380704
Molecular FormulaC16H22N5O3Si-
Molecular Weight360.47 g/mol
Exact Mass360.15
IUPAC Name—
SMILESC#Cc1nn([C@@]2([Si-])C[C@H](COC)N(C(=O)C=C)C2)c(NC)c1C(N)O
InChIInChI=1S/C16H22N5O3Si/c1-5-11-13(14(17)23)15(18-3)21(19-11)16(25)7-10(8-24-4)20(9-16)12(22)6-2/h1,6,10,14,18,23H,2,7-9,17H2,3-4H3/q-1/t10-,14?,16-/m1/s1
InChIKeyGWGLGKPXDLLESL-FGOGKNADSA-N
XLogP-0.89
TPSA105.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

CID 162381045
CID 162381045
1-[(2R,4S)-4-[4-[amino(hydroxy)methyl]-3-ethynyl-5-(methylamino)pyrazol-1-yl]-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 162380646
CID 162381002
CID 162381002
CID 162381544
CID 162381544
CID 162381627
CID 162381627
3-ethynyl-1-[(3R,5R)-5-(methoxymethyl)-1-prop-2-enoyl-3-silylpyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide
CID 164130644
amino-[3-ethynyl-1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]-5-(methylamino)pyrazol-4-yl]methanol
CID 167082061

Frequently Asked Questions

What is the IUPAC name of CID 162380704?
The IUPAC name of CID 162380704 (CID 162380704) is not available.
What is the SMILES notation for CID 162380704?
The canonical SMILES for CID 162380704 is C#Cc1nn([C@@]2([Si-])C[C@H](COC)N(C(=O)C=C)C2)c(NC)c1C(N)O.
What is the InChIKey of CID 162380704?
The InChIKey is GWGLGKPXDLLESL-FGOGKNADSA-N. The full InChI is InChI=1S/C16H22N5O3Si/c1-5-11-13(14(17)23)15(18-3)21(19-11)16(25)7-10(8-24-4)20(9-16)12(22)6-2/h1,6,10,14,18,23H,2,7-9,17H2,3-4H3/q-1/t10-,14?,16-/m1/s1.
What are the key properties of CID 162380704?
CID 162380704 has a molecular weight of 360.47 g/mol, XLogP of -0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162380704 is sourced from PubChem (CID 162380704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).