5-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-3-(4-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine

C22H25N5O2 — CID 74546182

IUPAC5-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-3-(4-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine
SMILESCOc1ccc(C2NNC3CCN(Cc4cnc(-c5ccco5)nc4)CC32)cc1
InChIInChI=1S/C22H25N5O2/c1-28-17-6-4-16(5-7-17)21-18-14-27(9-8-19(18)25-26-21)13-15-11-23-22(24-12-15)20-3-2-10-29-20/h2-7,10-12,18-19,21,25-26H,8-9,13-14H2,1H3
InChIKeySRXUVJZIIOOPMM-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.78
Rot. Bonds5

About 5-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-3-(4-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine

5-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-3-(4-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine (PubChem CID 74546182) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 5-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-3-(4-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-3-(4-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine
PubChem CID74546182
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name5-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-3-(4-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine
SMILESCOc1ccc(C2NNC3CCN(Cc4cnc(-c5ccco5)nc4)CC32)cc1
InChIInChI=1S/C22H25N5O2/c1-28-17-6-4-16(5-7-17)21-18-14-27(9-8-19(18)25-26-21)13-15-11-23-22(24-12-15)20-3-2-10-29-20/h2-7,10-12,18-19,21,25-26H,8-9,13-14H2,1H3
InChIKeySRXUVJZIIOOPMM-UHFFFAOYSA-N
XLogP2.78
TPSA75.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-3-(4-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine with MolForge

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Related Compounds

(3S,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(4-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine
CID 70706284
4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-2-[(3-methoxyphenyl)methyl]morpholine
CID 56867304
2-(furan-2-yl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]pyrimidine
CID 56915979
(3R,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(pyrimidin-2-ylamino)piperidin-3-ol
CID 118766424
2-(furan-2-yl)-5-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]pyrimidine
CID 95869290
4-[1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 135882171
3-[[(3S)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]pyrrolidin-3-yl]methyl]benzoic acid
CID 95727767
[1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]-phenylmethanone
CID 56917412
2-(furan-2-yl)-5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]pyrimidine
CID 95725231
3-[5-[[3-(3-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 74590002
(3aR,6S,7aS)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-3a-methoxy-3,4,5,6,7,7a-hexahydro-2H-indol-6-ol
CID 118770593
2-(4-methoxyphenyl)-5-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidine
CID 74250827

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-3-(4-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 5-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-3-(4-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine (CID 74546182) is 5-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-3-(4-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-3-(4-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-3-(4-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine is COc1ccc(C2NNC3CCN(Cc4cnc(-c5ccco5)nc4)CC32)cc1.
What is the InChIKey of 5-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-3-(4-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine?
The InChIKey is SRXUVJZIIOOPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-28-17-6-4-16(5-7-17)21-18-14-27(9-8-19(18)25-26-21)13-15-11-23-22(24-12-15)20-3-2-10-29-20/h2-7,10-12,18-19,21,25-26H,8-9,13-14H2,1H3.
What are the key properties of 5-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-3-(4-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine?
5-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-3-(4-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine has a molecular weight of 391.48 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-3-(4-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 74546182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).