1-[(4S)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-2-(dimethylamino)ethanone

C17H28N4O2 — CID 97415436

IUPAC1-[(4S)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-2-(dimethylamino)ethanone
SMILESCCn1cc2c(n1)CN(C(=O)CN(C)C)C[C@H]2COCC1CC1
InChIInChI=1S/C17H28N4O2/c1-4-21-8-15-14(12-23-11-13-5-6-13)7-20(9-16(15)18-21)17(22)10-19(2)3/h8,13-14H,4-7,9-12H2,1-3H3/t14-/m0/s1
InChIKeyDJVUHAOGLLCNHX-AWEZNQCLSA-N
MW320.44 g/mol
LogP1.32
Rot. Bonds7

About 1-[(4S)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-2-(dimethylamino)ethanone

1-[(4S)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-2-(dimethylamino)ethanone (PubChem CID 97415436) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-[(4S)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-[(4S)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-2-(dimethylamino)ethanone
PubChem CID97415436
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-[(4S)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-2-(dimethylamino)ethanone
SMILESCCn1cc2c(n1)CN(C(=O)CN(C)C)C[C@H]2COCC1CC1
InChIInChI=1S/C17H28N4O2/c1-4-21-8-15-14(12-23-11-13-5-6-13)7-20(9-16(15)18-21)17(22)10-19(2)3/h8,13-14H,4-7,9-12H2,1-3H3/t14-/m0/s1
InChIKeyDJVUHAOGLLCNHX-AWEZNQCLSA-N
XLogP1.32
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-2-(dimethylamino)ethanone?
The IUPAC name of 1-[(4S)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-2-(dimethylamino)ethanone (CID 97415436) is 1-[(4S)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-[(4S)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-2-(dimethylamino)ethanone?
The canonical SMILES for 1-[(4S)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-2-(dimethylamino)ethanone is CCn1cc2c(n1)CN(C(=O)CN(C)C)C[C@H]2COCC1CC1.
What is the InChIKey of 1-[(4S)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-2-(dimethylamino)ethanone?
The InChIKey is DJVUHAOGLLCNHX-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-4-21-8-15-14(12-23-11-13-5-6-13)7-20(9-16(15)18-21)17(22)10-19(2)3/h8,13-14H,4-7,9-12H2,1-3H3/t14-/m0/s1.
What are the key properties of 1-[(4S)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-2-(dimethylamino)ethanone?
1-[(4S)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-2-(dimethylamino)ethanone has a molecular weight of 320.44 g/mol, XLogP of 1.32, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-2-(dimethylamino)ethanone is sourced from PubChem (CID 97415436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).