CID 162380746

C16H21N5O3Si — CID 162380746

IUPAC—
SMILESC#Cc1nn([C@H]2C[C@H](COC)N(C(=O)C=C)C[Si]2)c(NC)c1C(N)=O
InChIInChI=1S/C16H21N5O3Si/c1-5-11-14(15(17)23)16(18-3)21(19-11)13-7-10(8-24-4)20(9-25-13)12(22)6-2/h1,6,10,13,18H,2,7-9H2,3-4H3,(H2,17,23)/t10-,13-/m1/s1
InChIKeyTVLIZJJTZIGOFI-ZWNOBZJWSA-N
MW359.46 g/mol
LogP-0.40
Rot. Bonds6

About CID 162380746

CID 162380746 (PubChem CID 162380746) has the molecular formula C16H21N5O3Si and a molecular weight of 359.46 g/mol.

Molecular Properties

Compound NameCID 162380746
PubChem CID162380746
Molecular FormulaC16H21N5O3Si
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC Name—
SMILESC#Cc1nn([C@H]2C[C@H](COC)N(C(=O)C=C)C[Si]2)c(NC)c1C(N)=O
InChIInChI=1S/C16H21N5O3Si/c1-5-11-14(15(17)23)16(18-3)21(19-11)13-7-10(8-24-4)20(9-25-13)12(22)6-2/h1,6,10,13,18H,2,7-9H2,3-4H3,(H2,17,23)/t10-,13-/m1/s1
InChIKeyTVLIZJJTZIGOFI-ZWNOBZJWSA-N
XLogP-0.40
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

1-[(3S,5R)-5-(1,1-difluoroethoxymethyl)-1-prop-2-enoylpyrrolidin-3-yl]-3-ethynyl-5-(methylamino)pyrazole-4-carboxamide
CID 162380897
CID 162381045
CID 162381045
3-ethynyl-5-(methylamino)-1-[(3S,5R)-1-prop-2-enoyl-5-(trifluoromethoxymethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 162381226
1-[(3S,5R)-5-(difluoromethoxymethyl)-1-prop-2-enoylpyrrolidin-3-yl]-3-ethynyl-5-(methylamino)pyrazole-4-carboxamide
CID 162381702
1-[1-[(E)-4-(dimethylamino)but-2-enoyl]azetidin-3-yl]-3-ethynyl-5-(methylamino)pyrazole-4-carboxamide
CID 162380636
3-ethynyl-1-[(3S,5R)-5-(methoxymethyl)-1-prop-2-enoylpyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide
CID 162380816
CID 162381002
CID 162381002
CID 162381229
CID 162381229
CID 162381324
CID 162381324
CID 162381544
CID 162381544
CID 162381546
CID 162381546
CID 162381627
CID 162381627

Frequently Asked Questions

What is the IUPAC name of CID 162380746?
The IUPAC name of CID 162380746 (CID 162380746) is not available.
What is the SMILES notation for CID 162380746?
The canonical SMILES for CID 162380746 is C#Cc1nn([C@H]2C[C@H](COC)N(C(=O)C=C)C[Si]2)c(NC)c1C(N)=O.
What is the InChIKey of CID 162380746?
The InChIKey is TVLIZJJTZIGOFI-ZWNOBZJWSA-N. The full InChI is InChI=1S/C16H21N5O3Si/c1-5-11-14(15(17)23)16(18-3)21(19-11)13-7-10(8-24-4)20(9-25-13)12(22)6-2/h1,6,10,13,18H,2,7-9H2,3-4H3,(H2,17,23)/t10-,13-/m1/s1.
What are the key properties of CID 162380746?
CID 162380746 has a molecular weight of 359.46 g/mol, XLogP of -0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162380746 is sourced from PubChem (CID 162380746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).