1-benzyl-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide

C26H27N5O2 — CID 30531698

IUPAC1-benzyl-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESO=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1cnc2c(cnn2Cc2ccccc2)c1
InChIInChI=1S/C26H27N5O2/c32-26(28-16-24-19-30(11-12-33-24)17-20-7-3-1-4-8-20)23-13-22-15-29-31(25(22)27-14-23)18-21-9-5-2-6-10-21/h1-10,13-15,24H,11-12,16-19H2,(H,28,32)/t24-/m1/s1
InChIKeyLRISMEQKDUZXGN-XMMPIXPASA-N
MW441.54 g/mol
LogP3.11
Rot. Bonds7

About 1-benzyl-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide

1-benzyl-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 30531698) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 1-benzyl-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID30531698
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name1-benzyl-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESO=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1cnc2c(cnn2Cc2ccccc2)c1
InChIInChI=1S/C26H27N5O2/c32-26(28-16-24-19-30(11-12-33-24)17-20-7-3-1-4-8-20)23-13-22-15-29-31(25(22)27-14-23)18-21-9-5-2-6-10-21/h1-10,13-15,24H,11-12,16-19H2,(H,28,32)/t24-/m1/s1
InChIKeyLRISMEQKDUZXGN-XMMPIXPASA-N
XLogP3.11
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-benzyl-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide with MolForge

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Related Compounds

N-[(4-benzylmorpholin-2-yl)methyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 43064063
N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 43019906
N-[(4-benzylmorpholin-2-yl)methyl]-2-chloroquinoline-6-carboxamide
CID 55731163
N-[(4-benzylmorpholin-2-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 42886737
N-[(4-benzylmorpholin-2-yl)methyl]-4-fluorobenzamide
CID 46522835
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
N-[(4-benzylmorpholin-2-yl)methyl]-3,5-dimethoxybenzamide
CID 17480503
N-[(4-benzylmorpholin-2-yl)methyl]-9-oxofluorene-2-carboxamide
CID 42939286
N-[(4-benzylmorpholin-2-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 75460681
N-[(4-benzylmorpholin-2-yl)methyl]-3-(dimethylamino)benzamide
CID 78799093
1-benzyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24622914
1-benzyl-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24668547

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-benzyl-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide (CID 30531698) is 1-benzyl-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-benzyl-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-benzyl-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide is O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1cnc2c(cnn2Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is LRISMEQKDUZXGN-XMMPIXPASA-N. The full InChI is InChI=1S/C26H27N5O2/c32-26(28-16-24-19-30(11-12-33-24)17-20-7-3-1-4-8-20)23-13-22-15-29-31(25(22)27-14-23)18-21-9-5-2-6-10-21/h1-10,13-15,24H,11-12,16-19H2,(H,28,32)/t24-/m1/s1.
What are the key properties of 1-benzyl-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
1-benzyl-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 30531698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).