(7S)-1-(cyclopentylmethyl)-7-(cyclopropylmethoxymethyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine

C18H29N3O — CID 98641816

IUPAC(7S)-1-(cyclopentylmethyl)-7-(cyclopropylmethoxymethyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
SMILESCN1Cc2cnn(CC3CCCC3)c2[C@@H](COCC2CC2)C1
InChIInChI=1S/C18H29N3O/c1-20-10-16-8-19-21(9-14-4-2-3-5-14)18(16)17(11-20)13-22-12-15-6-7-15/h8,14-15,17H,2-7,9-13H2,1H3/t17-/m1/s1
InChIKeyRQPYPJAUMAPCDD-QGZVFWFLSA-N
MW303.45 g/mol
LogP3.03
Rot. Bonds6

About (7S)-1-(cyclopentylmethyl)-7-(cyclopropylmethoxymethyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine

(7S)-1-(cyclopentylmethyl)-7-(cyclopropylmethoxymethyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine (PubChem CID 98641816) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is (7S)-1-(cyclopentylmethyl)-7-(cyclopropylmethoxymethyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name(7S)-1-(cyclopentylmethyl)-7-(cyclopropylmethoxymethyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
PubChem CID98641816
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name(7S)-1-(cyclopentylmethyl)-7-(cyclopropylmethoxymethyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
SMILESCN1Cc2cnn(CC3CCCC3)c2[C@@H](COCC2CC2)C1
InChIInChI=1S/C18H29N3O/c1-20-10-16-8-19-21(9-14-4-2-3-5-14)18(16)17(11-20)13-22-12-15-6-7-15/h8,14-15,17H,2-7,9-13H2,1H3/t17-/m1/s1
InChIKeyRQPYPJAUMAPCDD-QGZVFWFLSA-N
XLogP3.03
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (7S)-1-(cyclopentylmethyl)-7-(cyclopropylmethoxymethyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine with MolForge

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Related Compounds

(7S)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 97368217
7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 131657011
(7R)-7-(cyclopropylmethoxymethyl)-1-ethyl-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-sulfonamide
CID 97368213
[(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone
CID 97468515
[1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrazin-2-ylmethanone
CID 118745142
cyclopenten-1-yl-[(7R)-1-(cyclopentylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone
CID 97468553
7-(ethoxymethyl)-N,N-dimethyl-1-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide
CID 134070183
2-[[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole
CID 118739801
1-[(7S)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-thiophen-2-ylethanone
CID 97468528
[(7R)-7-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone
CID 97415434
(7S)-5-(cyclopropylmethyl)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 97382684
[(7R)-7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(oxan-4-yl)methanone
CID 97382769

Frequently Asked Questions

What is the IUPAC name of (7S)-1-(cyclopentylmethyl)-7-(cyclopropylmethoxymethyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The IUPAC name of (7S)-1-(cyclopentylmethyl)-7-(cyclopropylmethoxymethyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine (CID 98641816) is (7S)-1-(cyclopentylmethyl)-7-(cyclopropylmethoxymethyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine.
What is the SMILES notation for (7S)-1-(cyclopentylmethyl)-7-(cyclopropylmethoxymethyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The canonical SMILES for (7S)-1-(cyclopentylmethyl)-7-(cyclopropylmethoxymethyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine is CN1Cc2cnn(CC3CCCC3)c2[C@@H](COCC2CC2)C1.
What is the InChIKey of (7S)-1-(cyclopentylmethyl)-7-(cyclopropylmethoxymethyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The InChIKey is RQPYPJAUMAPCDD-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H29N3O/c1-20-10-16-8-19-21(9-14-4-2-3-5-14)18(16)17(11-20)13-22-12-15-6-7-15/h8,14-15,17H,2-7,9-13H2,1H3/t17-/m1/s1.
What are the key properties of (7S)-1-(cyclopentylmethyl)-7-(cyclopropylmethoxymethyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
(7S)-1-(cyclopentylmethyl)-7-(cyclopropylmethoxymethyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine has a molecular weight of 303.45 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-1-(cyclopentylmethyl)-7-(cyclopropylmethoxymethyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine is sourced from PubChem (CID 98641816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).