(5R,7S)-N-[(5-cyano-3-pyridinyl)methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide

C17H19N5O2 — CID 146100517

IUPAC(5R,7S)-N-[(5-cyano-3-pyridinyl)methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(nn(C)c2C(=O)NCc2cncc(C#N)c2)[C@H](C)O1
InChIInChI=1S/C17H19N5O2/c1-10-4-14-15(11(2)24-10)21-22(3)16(14)17(23)20-9-13-5-12(6-18)7-19-8-13/h5,7-8,10-11H,4,9H2,1-3H3,(H,20,23)/t10-,11+/m1/s1
InChIKeyWWEZACUQJJOXTP-MNOVXSKESA-N
MW325.37 g/mol
LogP1.64
Rot. Bonds3

About (5R,7S)-N-[(5-cyano-3-pyridinyl)methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide

(5R,7S)-N-[(5-cyano-3-pyridinyl)methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide (PubChem CID 146100517) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is (5R,7S)-N-[(5-cyano-3-pyridinyl)methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5R,7S)-N-[(5-cyano-3-pyridinyl)methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
PubChem CID146100517
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name(5R,7S)-N-[(5-cyano-3-pyridinyl)methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(nn(C)c2C(=O)NCc2cncc(C#N)c2)[C@H](C)O1
InChIInChI=1S/C17H19N5O2/c1-10-4-14-15(11(2)24-10)21-22(3)16(14)17(23)20-9-13-5-12(6-18)7-19-8-13/h5,7-8,10-11H,4,9H2,1-3H3,(H,20,23)/t10-,11+/m1/s1
InChIKeyWWEZACUQJJOXTP-MNOVXSKESA-N
XLogP1.64
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5R,7S)-N-[(5-cyano-3-pyridinyl)methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R,7S)-N-[[3-fluoro-4-(methoxymethyl)phenyl]methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093381
(5R,7S)-N-[(1-hydroxycyclobutyl)methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146100387
(5R,7S)-N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093574
(5R,7S)-N-[(4-cyclopropyl-2-fluorophenyl)methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093400
(5R,7S)-2,5,7-trimethyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093487
(5R,7S)-N-[(2-fluoro-5-methoxyphenyl)methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093329
(5R,7S)-2,5,7-trimethyl-N-(3-methylcyclobutyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 154794803
(5R,7S)-2,5,7-trimethyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 167934608
4-[4-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonyl]piperazin-1-yl]benzonitrile
CID 167842284
3-[4-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 146093541
(5R,7S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146100480
(5R,7S)-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093458

Frequently Asked Questions

What is the IUPAC name of (5R,7S)-N-[(5-cyano-3-pyridinyl)methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The IUPAC name of (5R,7S)-N-[(5-cyano-3-pyridinyl)methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide (CID 146100517) is (5R,7S)-N-[(5-cyano-3-pyridinyl)methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide.
What is the SMILES notation for (5R,7S)-N-[(5-cyano-3-pyridinyl)methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The canonical SMILES for (5R,7S)-N-[(5-cyano-3-pyridinyl)methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide is C[C@@H]1Cc2c(nn(C)c2C(=O)NCc2cncc(C#N)c2)[C@H](C)O1.
What is the InChIKey of (5R,7S)-N-[(5-cyano-3-pyridinyl)methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The InChIKey is WWEZACUQJJOXTP-MNOVXSKESA-N. The full InChI is InChI=1S/C17H19N5O2/c1-10-4-14-15(11(2)24-10)21-22(3)16(14)17(23)20-9-13-5-12(6-18)7-19-8-13/h5,7-8,10-11H,4,9H2,1-3H3,(H,20,23)/t10-,11+/m1/s1.
What are the key properties of (5R,7S)-N-[(5-cyano-3-pyridinyl)methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
(5R,7S)-N-[(5-cyano-3-pyridinyl)methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-N-[(5-cyano-3-pyridinyl)methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide is sourced from PubChem (CID 146100517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).