N-[(4-benzylmorpholin-2-yl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide

C22H27N5O2 — CID 24640690

IUPACN-[(4-benzylmorpholin-2-yl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC2CN(Cc3ccccc3)CCO2)c2c(C)nn(C)c2n1
InChIInChI=1S/C22H27N5O2/c1-15-11-19(20-16(2)25-26(3)21(20)24-15)22(28)23-12-18-14-27(9-10-29-18)13-17-7-5-4-6-8-17/h4-8,11,18H,9-10,12-14H2,1-3H3,(H,23,28)
InChIKeyIAUDYYRQQJWECZ-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.22
Rot. Bonds5

About N-[(4-benzylmorpholin-2-yl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide

N-[(4-benzylmorpholin-2-yl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 24640690) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[(4-benzylmorpholin-2-yl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-benzylmorpholin-2-yl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID24640690
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC NameN-[(4-benzylmorpholin-2-yl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC2CN(Cc3ccccc3)CCO2)c2c(C)nn(C)c2n1
InChIInChI=1S/C22H27N5O2/c1-15-11-19(20-16(2)25-26(3)21(20)24-15)22(28)23-12-18-14-27(9-10-29-18)13-17-7-5-4-6-8-17/h4-8,11,18H,9-10,12-14H2,1-3H3,(H,23,28)
InChIKeyIAUDYYRQQJWECZ-UHFFFAOYSA-N
XLogP2.22
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4-benzylmorpholin-2-yl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

N-[(4-benzylmorpholin-2-yl)methyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24640661
N-[(4-benzylmorpholin-2-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 42886737
6-cyclopropyl-1,3-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134026142
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
N-[(4-benzylmorpholin-2-yl)methyl]-2-chloroquinoline-6-carboxamide
CID 55731163
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(4-benzylmorpholin-2-yl)methyl]acetamide
CID 24578468
N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 43019906
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 39472023
N-[(4-benzylmorpholin-2-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 75460681
N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-4-(dimethylamino)-2-hydroxybenzamide
CID 14881990
1-benzyl-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 30531698
1-benzyl-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrole-3-carboxamide
CID 47086922

Frequently Asked Questions

What is the IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 24640690) is N-[(4-benzylmorpholin-2-yl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(4-benzylmorpholin-2-yl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(4-benzylmorpholin-2-yl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NCC2CN(Cc3ccccc3)CCO2)c2c(C)nn(C)c2n1.
What is the InChIKey of N-[(4-benzylmorpholin-2-yl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is IAUDYYRQQJWECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-15-11-19(20-16(2)25-26(3)21(20)24-15)22(28)23-12-18-14-27(9-10-29-18)13-17-7-5-4-6-8-17/h4-8,11,18H,9-10,12-14H2,1-3H3,(H,23,28).
What are the key properties of N-[(4-benzylmorpholin-2-yl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-[(4-benzylmorpholin-2-yl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzylmorpholin-2-yl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 24640690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).