CID 174147997

C16H20BN5O2 — CID 174147997

IUPAC—
SMILES[B]c1cnc(N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c2nccnc12
InChIInChI=1S/C16H20BN5O2/c1-16(2,3)24-15(23)22-7-4-10(9-22)21-14-13-12(11(17)8-20-14)18-5-6-19-13/h5-6,8,10H,4,7,9H2,1-3H3,(H,20,21)/t10-/m0/s1
InChIKeyUUAUBLYRTLLZKD-JTQLQIEISA-N
MW325.18 g/mol
LogP1.24
Rot. Bonds2

About CID 174147997

CID 174147997 (PubChem CID 174147997) has the molecular formula C16H20BN5O2 and a molecular weight of 325.18 g/mol.

Molecular Properties

Compound NameCID 174147997
PubChem CID174147997
Molecular FormulaC16H20BN5O2
Molecular Weight325.18 g/mol
Exact Mass325.17
IUPAC Name—
SMILES[B]c1cnc(N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c2nccnc12
InChIInChI=1S/C16H20BN5O2/c1-16(2,3)24-15(23)22-7-4-10(9-22)21-14-13-12(11(17)8-20-14)18-5-6-19-13/h5-6,8,10H,4,7,9H2,1-3H3,(H,20,21)/t10-/m0/s1
InChIKeyUUAUBLYRTLLZKD-JTQLQIEISA-N
XLogP1.24
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (3S)-3-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]pyrrolidine-1-carboxylate
CID 169259324
tert-butyl 3-[(6-bromo-2-oxo-1H-pyrazin-3-yl)amino]pyrrolidine-1-carboxylate
CID 167351130
tert-butyl (3S)-3-(pyrimidin-2-ylamino)pyrrolidine-1-carboxylate
CID 71301820
tert-butyl 3-[(5-bromo-3-methoxypyrazin-2-yl)amino]pyrrolidine-1-carboxylate
CID 167350845
tert-butyl 3-[(5-methylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate
CID 175109329
tert-butyl 3-[(6-bromo-1,7-naphthyridin-8-yl)amino]pyrrolidine-1-carboxylate
CID 90387015
tert-butyl 3-[(1-methylimidazol-2-yl)amino]pyrrolidine-1-carboxylate
CID 177305921
tert-butyl 3-(1,3-thiazol-2-ylamino)pyrrolidine-1-carboxylate
CID 71629653
tert-butyl (3R)-3-[(3,5-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 140933973
tert-butyl (3S)-3-[(3-cyano-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 71629238
tert-butyl 3-[(8-oxo-7H-pyrimido[5,4-d]pyrimidin-2-yl)amino]pyrrolidine-1-carboxylate
CID 156505213
tert-butyl (3R)-3-[(5-bromo-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 71629441

Frequently Asked Questions

What is the IUPAC name of CID 174147997?
The IUPAC name of CID 174147997 (CID 174147997) is not available.
What is the SMILES notation for CID 174147997?
The canonical SMILES for CID 174147997 is [B]c1cnc(N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c2nccnc12.
What is the InChIKey of CID 174147997?
The InChIKey is UUAUBLYRTLLZKD-JTQLQIEISA-N. The full InChI is InChI=1S/C16H20BN5O2/c1-16(2,3)24-15(23)22-7-4-10(9-22)21-14-13-12(11(17)8-20-14)18-5-6-19-13/h5-6,8,10H,4,7,9H2,1-3H3,(H,20,21)/t10-/m0/s1.
What are the key properties of CID 174147997?
CID 174147997 has a molecular weight of 325.18 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174147997 is sourced from PubChem (CID 174147997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).