4-(cyclopropylmethoxymethyl)-2-ethyl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine

C18H25N3OS — CID 131659557

IUPAC4-(cyclopropylmethoxymethyl)-2-ethyl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
SMILESCCn1cc2c(n1)CN(Cc1ccsc1)CC2COCC1CC1
InChIInChI=1S/C18H25N3OS/c1-2-21-9-17-16(12-22-11-14-3-4-14)8-20(10-18(17)19-21)7-15-5-6-23-13-15/h5-6,9,13-14,16H,2-4,7-8,10-12H2,1H3
InChIKeyKBGUBCULFCOZAL-UHFFFAOYSA-N
MW331.49 g/mol
LogP3.49
Rot. Bonds7

About 4-(cyclopropylmethoxymethyl)-2-ethyl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine

4-(cyclopropylmethoxymethyl)-2-ethyl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine (PubChem CID 131659557) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is 4-(cyclopropylmethoxymethyl)-2-ethyl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name4-(cyclopropylmethoxymethyl)-2-ethyl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
PubChem CID131659557
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC Name4-(cyclopropylmethoxymethyl)-2-ethyl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
SMILESCCn1cc2c(n1)CN(Cc1ccsc1)CC2COCC1CC1
InChIInChI=1S/C18H25N3OS/c1-2-21-9-17-16(12-22-11-14-3-4-14)8-20(10-18(17)19-21)7-15-5-6-23-13-15/h5-6,9,13-14,16H,2-4,7-8,10-12H2,1H3
InChIKeyKBGUBCULFCOZAL-UHFFFAOYSA-N
XLogP3.49
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-6-(pyridin-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 97383074
2-[[(4S)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-1,3-thiazole
CID 97383065
(7S)-7-(cyclopropylmethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97368938
7-(ethoxymethyl)-2-ethyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 131640660
4-(cyclopropylmethoxymethyl)-6-(cyclopropylmethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;2,2,2-trifluoroacetic acid
CID 118745407
(7S)-7-(ethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 97368289
[4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone
CID 118744159
(7R)-7-(ethoxymethyl)-2-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382482
(7S)-7-(ethoxymethyl)-2-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382483
1-[(4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-2-(dimethylamino)ethanone
CID 97415435
1-[(4S)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-2-(dimethylamino)ethanone
CID 97415436
(4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-6-(6-methoxypyrimidin-4-yl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 97368696

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxymethyl)-2-ethyl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 4-(cyclopropylmethoxymethyl)-2-ethyl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine (CID 131659557) is 4-(cyclopropylmethoxymethyl)-2-ethyl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 4-(cyclopropylmethoxymethyl)-2-ethyl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 4-(cyclopropylmethoxymethyl)-2-ethyl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine is CCn1cc2c(n1)CN(Cc1ccsc1)CC2COCC1CC1.
What is the InChIKey of 4-(cyclopropylmethoxymethyl)-2-ethyl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
The InChIKey is KBGUBCULFCOZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-2-21-9-17-16(12-22-11-14-3-4-14)8-20(10-18(17)19-21)7-15-5-6-23-13-15/h5-6,9,13-14,16H,2-4,7-8,10-12H2,1H3.
What are the key properties of 4-(cyclopropylmethoxymethyl)-2-ethyl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
4-(cyclopropylmethoxymethyl)-2-ethyl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine has a molecular weight of 331.49 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxymethyl)-2-ethyl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 131659557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).