CID 162381546

C17H24N5O3Si — CID 162381546

IUPAC—
SMILESC#Cc1nn(CC[C@H](COC)N(CC[Si])C(=O)C=C)c(NC)c1C(N)=O
InChIInChI=1S/C17H24N5O3Si/c1-5-13-15(16(18)24)17(19-3)22(20-13)8-7-12(11-25-4)21(9-10-26)14(23)6-2/h1,6,12,19H,2,7-11H2,3-4H3,(H2,18,24)/t12-/m1/s1
InChIKeyCZNCTQDEFPTZHF-GFCCVEGCSA-N
MW374.50 g/mol
LogP0.01
Rot. Bonds11

About CID 162381546

CID 162381546 (PubChem CID 162381546) has the molecular formula C17H24N5O3Si and a molecular weight of 374.50 g/mol.

Molecular Properties

Compound NameCID 162381546
PubChem CID162381546
Molecular FormulaC17H24N5O3Si
Molecular Weight374.50 g/mol
Exact Mass374.16
IUPAC Name—
SMILESC#Cc1nn(CC[C@H](COC)N(CC[Si])C(=O)C=C)c(NC)c1C(N)=O
InChIInChI=1S/C17H24N5O3Si/c1-5-13-15(16(18)24)17(19-3)22(20-13)8-7-12(11-25-4)21(9-10-26)14(23)6-2/h1,6,12,19H,2,7-11H2,3-4H3,(H2,18,24)/t12-/m1/s1
InChIKeyCZNCTQDEFPTZHF-GFCCVEGCSA-N
XLogP0.01
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.50
LogP ≤ 50.01
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
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
CID 162380746
CID 162380746
3-ethynyl-1-[(3S,5R)-5-(methoxymethyl)-1-prop-2-enoylpyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide
CID 162380816
CID 162380859
CID 162380859
3-ethynyl-5-(methylamino)-1-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]pyrazole-4-carboxamide
CID 162380876

Frequently Asked Questions

What is the IUPAC name of CID 162381546?
The IUPAC name of CID 162381546 (CID 162381546) is not available.
What is the SMILES notation for CID 162381546?
The canonical SMILES for CID 162381546 is C#Cc1nn(CC[C@H](COC)N(CC[Si])C(=O)C=C)c(NC)c1C(N)=O.
What is the InChIKey of CID 162381546?
The InChIKey is CZNCTQDEFPTZHF-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H24N5O3Si/c1-5-13-15(16(18)24)17(19-3)22(20-13)8-7-12(11-25-4)21(9-10-26)14(23)6-2/h1,6,12,19H,2,7-11H2,3-4H3,(H2,18,24)/t12-/m1/s1.
What are the key properties of CID 162381546?
CID 162381546 has a molecular weight of 374.50 g/mol, XLogP of 0.01, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162381546 is sourced from PubChem (CID 162381546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).