CID 155723039

C17H24BN5O2 — CID 155723039

IUPAC—
SMILES[B]c1c(C2CCN(C(=O)OC(C)(C)C)CC2)c2c(N)ncnc2n1C
InChIInChI=1S/C17H24BN5O2/c1-17(2,3)25-16(24)23-7-5-10(6-8-23)11-12-14(19)20-9-21-15(12)22(4)13(11)18/h9-10H,5-8H2,1-4H3,(H2,19,20,21)
InChIKeyFAYJQSJYBQWWQG-UHFFFAOYSA-N
MW341.22 g/mol
LogP1.46
Rot. Bonds1

About CID 155723039

CID 155723039 (PubChem CID 155723039) has the molecular formula C17H24BN5O2 and a molecular weight of 341.22 g/mol.

Molecular Properties

Compound NameCID 155723039
PubChem CID155723039
Molecular FormulaC17H24BN5O2
Molecular Weight341.22 g/mol
Exact Mass341.20
IUPAC Name—
SMILES[B]c1c(C2CCN(C(=O)OC(C)(C)C)CC2)c2c(N)ncnc2n1C
InChIInChI=1S/C17H24BN5O2/c1-17(2,3)25-16(24)23-7-5-10(6-8-23)11-12-14(19)20-9-21-15(12)22(4)13(11)18/h9-10H,5-8H2,1-4H3,(H2,19,20,21)
InChIKeyFAYJQSJYBQWWQG-UHFFFAOYSA-N
XLogP1.46
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.22
LogP ≤ 51.46
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 4-[4-amino-6-[4-(1-hydroxyprop-2-enylamino)phenyl]-7-methylpyrrolo[2,3-d]pyrimidin-5-yl]piperidine-1-carboxylate
CID 155309755
tert-butyl 4-[4-amino-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]piperidine-1-carboxylate
CID 170747040
tert-butyl (3R)-3-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)pyrrolidine-1-carboxylate
CID 126660812
4-amino-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
CID 175161648
tert-butyl 4-(5,6-diamino-3-pyridinyl)piperidine-1-carboxylate;ethane
CID 144686665
tert-butyl 4-(6-aminopyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 58167449
tert-butyl 3-[4-amino-5-(4-chlorophenyl)-6-methylpyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1-carboxylate
CID 123323179
tert-butyl 3-[4-amino-3-(4-aminophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidine-1-carboxylate
CID 66990874
tert-butyl 4-(2-amino-6-methylphenyl)piperidine-1-carboxylate
CID 121426164
tert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;oxalic acid
CID 74892502
tert-butyl 4-(2-amino-5-cyclopropyl-3-pyridinyl)piperazine-1-carboxylate;ethane
CID 165132372
tert-butyl 4-[4-amino-6-methyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate
CID 90150186

Frequently Asked Questions

What is the IUPAC name of CID 155723039?
The IUPAC name of CID 155723039 (CID 155723039) is not available.
What is the SMILES notation for CID 155723039?
The canonical SMILES for CID 155723039 is [B]c1c(C2CCN(C(=O)OC(C)(C)C)CC2)c2c(N)ncnc2n1C.
What is the InChIKey of CID 155723039?
The InChIKey is FAYJQSJYBQWWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BN5O2/c1-17(2,3)25-16(24)23-7-5-10(6-8-23)11-12-14(19)20-9-21-15(12)22(4)13(11)18/h9-10H,5-8H2,1-4H3,(H2,19,20,21).
What are the key properties of CID 155723039?
CID 155723039 has a molecular weight of 341.22 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155723039 is sourced from PubChem (CID 155723039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).