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

C17H26N4O2 — CID 131697545

IUPACN-[[(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
SMILESCn1cc(CN2CC[C@H]3[C@H](CO[C@H]3CNC(=O)C3CC3)C2)cn1
InChIInChI=1S/C17H26N4O2/c1-20-8-12(6-19-20)9-21-5-4-15-14(10-21)11-23-16(15)7-18-17(22)13-2-3-13/h6,8,13-16H,2-5,7,9-11H2,1H3,(H,18,22)/t14-,15-,16-/m0/s1
InChIKeyDNVXGQRWMCVFRB-JYJNAYRXSA-N
MW318.42 g/mol
LogP0.78
Rot. Bonds5

About 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

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 (PubChem CID 131697545) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[(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
PubChem CID131697545
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-[[(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
SMILESCn1cc(CN2CC[C@H]3[C@H](CO[C@H]3CNC(=O)C3CC3)C2)cn1
InChIInChI=1S/C17H26N4O2/c1-20-8-12(6-19-20)9-21-5-4-15-14(10-21)11-23-16(15)7-18-17(22)13-2-3-13/h6,8,13-16H,2-5,7,9-11H2,1H3,(H,18,22)/t14-,15-,16-/m0/s1
InChIKeyDNVXGQRWMCVFRB-JYJNAYRXSA-N
XLogP0.78
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

N-[[(1S,3aR,7aR)-5-(1,3-thiazol-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]cyclopropanecarboxamide
CID 131697543
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
N-[[(1R,3aS,7aS)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]cyclopropanecarboxamide
CID 97380295
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-[[(1S,3aR,7aR)-5-[(3-fluorophenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
CID 155826925
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-(pyridin-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
CID 171693460
N-[[(3R,3aS,7aS)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]cyclopropanecarboxamide
CID 124781020
(3S,3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide
CID 124817275
N-[[(3S,3aR,7aR)-5-(1,3-thiazol-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
CID 171673262
N-[[(1R,3aR,7aR)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]furan-2-carboxamide
CID 124780598
N-[2-[5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanecarboxamide
CID 131677846

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1cc(CN2CC[C@H]3[C@H](CO[C@H]3CNC(=O)C3CC3)C2)cn1.
What is the InChIKey of 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?
The InChIKey is DNVXGQRWMCVFRB-JYJNAYRXSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-20-8-12(6-19-20)9-21-5-4-15-14(10-21)11-23-16(15)7-18-17(22)13-2-3-13/h6,8,13-16H,2-5,7,9-11H2,1H3,(H,18,22)/t14-,15-,16-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 318.42 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 131697545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).