CID 162381392

C15H18N5O2Si — CID 162381392

IUPAC—
SMILESC#Cc1nn([C@@]2([Si])C[C@H](C)N(C(=O)C=C)C2)c(NC)c1C(N)=O
InChIInChI=1S/C15H18N5O2Si/c1-5-10-12(13(16)22)14(17-4)20(18-10)15(23)7-9(3)19(8-15)11(21)6-2/h1,6,9,17H,2,7-8H2,3-4H3,(H2,16,22)/t9-,15+/m0/s1
InChIKeyFLTVDLCGYZWCLN-BJOHPYRUSA-N
MW328.43 g/mol
LogP-0.37
Rot. Bonds4

About CID 162381392

CID 162381392 (PubChem CID 162381392) has the molecular formula C15H18N5O2Si and a molecular weight of 328.43 g/mol.

Molecular Properties

Compound NameCID 162381392
PubChem CID162381392
Molecular FormulaC15H18N5O2Si
Molecular Weight328.43 g/mol
Exact Mass328.12
IUPAC Name—
SMILESC#Cc1nn([C@@]2([Si])C[C@H](C)N(C(=O)C=C)C2)c(NC)c1C(N)=O
InChIInChI=1S/C15H18N5O2Si/c1-5-10-12(13(16)22)14(17-4)20(18-10)15(23)7-9(3)19(8-15)11(21)6-2/h1,6,9,17H,2,7-8H2,3-4H3,(H2,16,22)/t9-,15+/m0/s1
InChIKeyFLTVDLCGYZWCLN-BJOHPYRUSA-N
XLogP-0.37
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

3-ethynyl-1-[(3S,5S)-5-(fluoromethyl)pyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide
CID 162380826
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-5-(methylamino)-1-[(3S,5R)-1-prop-2-enoyl-5-(trifluoromethoxymethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 162381226
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
1-[(3S,5R)-5-(difluoromethoxymethyl)-1-prop-2-enoylpyrrolidin-3-yl]-3-ethynyl-5-(methylamino)pyrazole-4-carboxamide
CID 162381702
CID 162381863
CID 162381863
1-[(3S,5R)-5-(difluoromethyl)pyrrolidin-3-yl]-3-ethynyl-5-(methylamino)pyrazole-4-carboxamide
CID 164780170
1-[1-[(E)-4-(dimethylamino)but-2-enoyl]azetidin-3-yl]-3-ethynyl-5-(methylamino)pyrazole-4-carboxamide;ethane;2-fluoro-3-methylbuta-1,3-diene
CID 162380635
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

Frequently Asked Questions

What is the IUPAC name of CID 162381392?
The IUPAC name of CID 162381392 (CID 162381392) is not available.
What is the SMILES notation for CID 162381392?
The canonical SMILES for CID 162381392 is C#Cc1nn([C@@]2([Si])C[C@H](C)N(C(=O)C=C)C2)c(NC)c1C(N)=O.
What is the InChIKey of CID 162381392?
The InChIKey is FLTVDLCGYZWCLN-BJOHPYRUSA-N. The full InChI is InChI=1S/C15H18N5O2Si/c1-5-10-12(13(16)22)14(17-4)20(18-10)15(23)7-9(3)19(8-15)11(21)6-2/h1,6,9,17H,2,7-8H2,3-4H3,(H2,16,22)/t9-,15+/m0/s1.
What are the key properties of CID 162381392?
CID 162381392 has a molecular weight of 328.43 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162381392 is sourced from PubChem (CID 162381392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).