N-[[(3R,3aS,7aS)-5-(oxolan-3-yl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1-methylpyrazole-4-carboxamide

C17H26N4O3 — CID 133144332

IUPACN-[[(3R,3aS,7aS)-5-(oxolan-3-yl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC[C@@H]2OC[C@H]3CCN(C4CCOC4)C[C@H]32)cn1
InChIInChI=1S/C17H26N4O3/c1-20-8-13(6-19-20)17(22)18-7-16-15-9-21(14-3-5-23-11-14)4-2-12(15)10-24-16/h6,8,12,14-16H,2-5,7,9-11H2,1H3,(H,18,22)/t12-,14?,15-,16+/m1/s1
InChIKeyNMPHJSJJOXAOFG-OHRKKDJYSA-N
MW334.42 g/mol
LogP0.28
Rot. Bonds4

About N-[[(3R,3aS,7aS)-5-(oxolan-3-yl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1-methylpyrazole-4-carboxamide

N-[[(3R,3aS,7aS)-5-(oxolan-3-yl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 133144332) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[[(3R,3aS,7aS)-5-(oxolan-3-yl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(3R,3aS,7aS)-5-(oxolan-3-yl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1-methylpyrazole-4-carboxamide
PubChem CID133144332
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN-[[(3R,3aS,7aS)-5-(oxolan-3-yl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC[C@@H]2OC[C@H]3CCN(C4CCOC4)C[C@H]32)cn1
InChIInChI=1S/C17H26N4O3/c1-20-8-13(6-19-20)17(22)18-7-16-15-9-21(14-3-5-23-11-14)4-2-12(15)10-24-16/h6,8,12,14-16H,2-5,7,9-11H2,1H3,(H,18,22)/t12-,14?,15-,16+/m1/s1
InChIKeyNMPHJSJJOXAOFG-OHRKKDJYSA-N
XLogP0.28
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(3R,3aS,7aS)-5-(oxolan-3-yl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1-methylpyrazole-4-carboxamide with MolForge

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Related Compounds

N-[[(1S,3aS,7aS)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-1-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride
CID 155850689
N-[[(3S,3aR,7aR)-5-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]furan-2-carboxamide
CID 124817615
1-methyl-N-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]pyrazole-4-carboxamide
CID 131653513
N-[[(3S,3aR,7aR)-5-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 155829564
N-[[(1R,3aS,7aS)-5-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]cyclopropanecarboxamide
CID 131697545
N-[[1-(2-cyclohexyl-2-hydroxyethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 119046469
N-[[(3S,3aR,7aR)-5-acetyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 155874525
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 71879030
N-[[(3R,3aS,7aR)-5-[(4-methylphenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]cyclopropanecarboxamide
CID 134689939
N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-(4-phenylpiperazin-1-yl)oxolan-2-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 51136975
N-[2-(cyclopropanecarbonylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 31364847
N-[[1-(2-aminopentanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 119312997

Frequently Asked Questions

What is the IUPAC name of N-[[(3R,3aS,7aS)-5-(oxolan-3-yl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[[(3R,3aS,7aS)-5-(oxolan-3-yl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1-methylpyrazole-4-carboxamide (CID 133144332) is N-[[(3R,3aS,7aS)-5-(oxolan-3-yl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[(3R,3aS,7aS)-5-(oxolan-3-yl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[[(3R,3aS,7aS)-5-(oxolan-3-yl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NC[C@@H]2OC[C@H]3CCN(C4CCOC4)C[C@H]32)cn1.
What is the InChIKey of N-[[(3R,3aS,7aS)-5-(oxolan-3-yl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is NMPHJSJJOXAOFG-OHRKKDJYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-20-8-13(6-19-20)17(22)18-7-16-15-9-21(14-3-5-23-11-14)4-2-12(15)10-24-16/h6,8,12,14-16H,2-5,7,9-11H2,1H3,(H,18,22)/t12-,14?,15-,16+/m1/s1.
What are the key properties of N-[[(3R,3aS,7aS)-5-(oxolan-3-yl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1-methylpyrazole-4-carboxamide?
N-[[(3R,3aS,7aS)-5-(oxolan-3-yl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,3aS,7aS)-5-(oxolan-3-yl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 133144332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).