N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide

C19H29N5O3 — CID 120891417

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
SMILESCOCC1(CNC(=O)Cc2c(C)nc3c(c2C)c(=O)[nH]n3C)CCNCC1
InChIInChI=1S/C19H29N5O3/c1-12-14(13(2)22-17-16(12)18(26)23-24(17)3)9-15(25)21-10-19(11-27-4)5-7-20-8-6-19/h20H,5-11H2,1-4H3,(H,21,25)(H,23,26)
InChIKeyBSEAFVVCYKTSGH-UHFFFAOYSA-N
MW375.47 g/mol
LogP0.55
Rot. Bonds6

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide (PubChem CID 120891417) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
PubChem CID120891417
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
SMILESCOCC1(CNC(=O)Cc2c(C)nc3c(c2C)c(=O)[nH]n3C)CCNCC1
InChIInChI=1S/C19H29N5O3/c1-12-14(13(2)22-17-16(12)18(26)23-24(17)3)9-15(25)21-10-19(11-27-4)5-7-20-8-6-19/h20H,5-11H2,1-4H3,(H,21,25)(H,23,26)
InChIKeyBSEAFVVCYKTSGH-UHFFFAOYSA-N
XLogP0.55
TPSA101.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide;dihydrochloride
CID 120890310
6-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 120889439
6-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 120889438
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 120945697
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890802
N-(oxetan-3-yl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 155953615
N-(2-hydroxy-2,3-dimethylbutyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 111484183
N-[[(1S,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 100635862
N-[(1-hydroxycyclohexyl)methyl]-2-(2,4,6-trimethyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 111485778
N-(4-aminocyclohexyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 119475374
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 120888736
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 120887382

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide (CID 120891417) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide is COCC1(CNC(=O)Cc2c(C)nc3c(c2C)c(=O)[nH]n3C)CCNCC1.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide?
The InChIKey is BSEAFVVCYKTSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-12-14(13(2)22-17-16(12)18(26)23-24(17)3)9-15(25)21-10-19(11-27-4)5-7-20-8-6-19/h20H,5-11H2,1-4H3,(H,21,25)(H,23,26).
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide has a molecular weight of 375.47 g/mol, XLogP of 0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide is sourced from PubChem (CID 120891417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).