CID 162380859

C16H18N5O3Si — CID 162380859

IUPAC—
SMILESC#Cc1nn([C@@]2([Si])C/C(=C\OC)N(C(=O)C=C)C2)c(NC)c1C(N)=O
InChIInChI=1S/C16H18N5O3Si/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/h1,6,8,18H,2,7,9H2,3-4H3,(H2,17,23)/b10-8+/t16-/m1/s1
InChIKeyVXWNTDDEHZZAGR-XAVKZTDYSA-N
MW356.44 g/mol
LogP-0.27
Rot. Bonds5

About CID 162380859

CID 162380859 (PubChem CID 162380859) has the molecular formula C16H18N5O3Si and a molecular weight of 356.44 g/mol.

Molecular Properties

Compound NameCID 162380859
PubChem CID162380859
Molecular FormulaC16H18N5O3Si
Molecular Weight356.44 g/mol
Exact Mass356.12
IUPAC Name—
SMILESC#Cc1nn([C@@]2([Si])C/C(=C\OC)N(C(=O)C=C)C2)c(NC)c1C(N)=O
InChIInChI=1S/C16H18N5O3Si/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/h1,6,8,18H,2,7,9H2,3-4H3,(H2,17,23)/b10-8+/t16-/m1/s1
InChIKeyVXWNTDDEHZZAGR-XAVKZTDYSA-N
XLogP-0.27
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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-[(3S,5R)-5-(difluoromethyl)-1-prop-2-enoylpyrrolidin-3-yl]-3-ethynyl-5-(methylamino)pyrazole-4-carboxamide
CID 162381047
3-ethynyl-1-[(3S,5R)-5-(fluoromethyl)-1-prop-2-enoylpyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide
CID 162381411
3-ethynyl-1-[(3S,5S)-5-(fluoromethyl)-1-prop-2-enoylpyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide
CID 162381629
CID 162381863
CID 162381863
1-[1-[(E)-4-(dimethylamino)but-2-enoyl]azetidin-3-yl]-3-ethynyl-5-(methylamino)pyrazole-4-carboxamide
CID 162380636
3-ethynyl-1-[(5E)-5-(methoxymethylidene)-1-prop-2-enoylpyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide
CID 162380681
3-ethynyl-5-(methylamino)-1-[(3S,5R)-5-methyl-1-prop-2-enoylpyrrolidin-3-yl]pyrazole-4-carboxamide
CID 162380690
3-ethynyl-1-[(3S,5R)-5-(methoxymethyl)-1-prop-2-enoylpyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide
CID 162380816
3-ethynyl-5-(methylamino)-1-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]pyrazole-4-carboxamide
CID 162380876
carbanide;einsteinium;5-ethynyl-3-(methylamino)-1H-pyrazole-4-carbaldehyde;methanamine;1-[(2E)-2-(methoxymethylidene)pyrrolidin-1-yl]prop-2-en-1-one
CID 162380954
CID 162381002
CID 162381002

Frequently Asked Questions

What is the IUPAC name of CID 162380859?
The IUPAC name of CID 162380859 (CID 162380859) is not available.
What is the SMILES notation for CID 162380859?
The canonical SMILES for CID 162380859 is C#Cc1nn([C@@]2([Si])C/C(=C\OC)N(C(=O)C=C)C2)c(NC)c1C(N)=O.
What is the InChIKey of CID 162380859?
The InChIKey is VXWNTDDEHZZAGR-XAVKZTDYSA-N. The full InChI is InChI=1S/C16H18N5O3Si/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/h1,6,8,18H,2,7,9H2,3-4H3,(H2,17,23)/b10-8+/t16-/m1/s1.
What are the key properties of CID 162380859?
CID 162380859 has a molecular weight of 356.44 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162380859 is sourced from PubChem (CID 162380859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).