CID 155732209

C26H30BN5 — CID 155732209

IUPAC—
SMILES[B]c1ncnc2c1ccn2C1CCC(CCc2ccc3cc(CCC)c(NC)nc3c2)C1
InChIInChI=1S/C26H30BN5/c1-3-4-20-15-19-9-7-18(14-23(19)31-25(20)28-2)6-5-17-8-10-21(13-17)32-12-11-22-24(27)29-16-30-26(22)32/h7,9,11-12,14-17,21H,3-6,8,10,13H2,1-2H3,(H,28,31)
InChIKeyAYBNNMBRMVZFNS-UHFFFAOYSA-N
MW423.37 g/mol
LogP4.74
Rot. Bonds7

About CID 155732209

CID 155732209 (PubChem CID 155732209) has the molecular formula C26H30BN5 and a molecular weight of 423.37 g/mol.

Molecular Properties

Compound NameCID 155732209
PubChem CID155732209
Molecular FormulaC26H30BN5
Molecular Weight423.37 g/mol
Exact Mass423.26
IUPAC Name—
SMILES[B]c1ncnc2c1ccn2C1CCC(CCc2ccc3cc(CCC)c(NC)nc3c2)C1
InChIInChI=1S/C26H30BN5/c1-3-4-20-15-19-9-7-18(14-23(19)31-25(20)28-2)6-5-17-8-10-21(13-17)32-12-11-22-24(27)29-16-30-26(22)32/h7,9,11-12,14-17,21H,3-6,8,10,13H2,1-2H3,(H,28,31)
InChIKeyAYBNNMBRMVZFNS-UHFFFAOYSA-N
XLogP4.74
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.37
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-7-[2-[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]ethyl]quinolin-2-amine
CID 166776430
N-(cyclopropylmethyl)-7-[2-[3-[4-(2-methylhydrazinyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]ethyl]quinolin-2-amine
CID 155175220
7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-3-chloroquinolin-2-amine
CID 126638050
N-(2-fluoroethyl)-7-[2-[3-(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]quinolin-2-amine
CID 170081026
7-[2-[(1R,3S)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-cyclopentylquinolin-2-amine
CID 155315707
7-[2-[3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-cyclopropylquinazolin-2-amine
CID 145263574
7-[3-[2-(2,2-dimethyl-1,3-dihydropyrrolo[2,3-b]quinolin-7-yl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 155362929
7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-(2,2,2-trifluoroethyl)quinolin-2-amine
CID 145263806
7-[3-[2-(3-methyl-3,4-dihydro-2H-[1,4]oxazino[3,2-b]quinolin-7-yl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 138713003
7-[2-[3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-cyclobutylquinolin-2-amine;propane-2,2-diol
CID 145263938
7-[2-[3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-(2,2,2-trifluoroethyl)quinolin-2-amine;propane-2,2-diol
CID 145263868
7-[3-[2-[(2S)-2-methyl-3,4-dihydro-2H-[1,4]oxazino[3,2-b]quinolin-7-yl]ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 138712581

Frequently Asked Questions

What is the IUPAC name of CID 155732209?
The IUPAC name of CID 155732209 (CID 155732209) is not available.
What is the SMILES notation for CID 155732209?
The canonical SMILES for CID 155732209 is [B]c1ncnc2c1ccn2C1CCC(CCc2ccc3cc(CCC)c(NC)nc3c2)C1.
What is the InChIKey of CID 155732209?
The InChIKey is AYBNNMBRMVZFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30BN5/c1-3-4-20-15-19-9-7-18(14-23(19)31-25(20)28-2)6-5-17-8-10-21(13-17)32-12-11-22-24(27)29-16-30-26(22)32/h7,9,11-12,14-17,21H,3-6,8,10,13H2,1-2H3,(H,28,31).
What are the key properties of CID 155732209?
CID 155732209 has a molecular weight of 423.37 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155732209 is sourced from PubChem (CID 155732209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).