[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1-morpholin-4-ylcyclohexyl)methanone

C19H30N4O3 — CID 91773494

IUPAC[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1-morpholin-4-ylcyclohexyl)methanone
SMILESCn1nc(CO)c2c1CCN(C(=O)C1(N3CCOCC3)CCCCC1)C2
InChIInChI=1S/C19H30N4O3/c1-21-17-5-8-22(13-15(17)16(14-24)20-21)18(25)19(6-3-2-4-7-19)23-9-11-26-12-10-23/h24H,2-14H2,1H3
InChIKeyFNZQIHKKJOOKHI-UHFFFAOYSA-N
MW362.47 g/mol
LogP0.83
Rot. Bonds3

About [3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1-morpholin-4-ylcyclohexyl)methanone

[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1-morpholin-4-ylcyclohexyl)methanone (PubChem CID 91773494) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is [3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1-morpholin-4-ylcyclohexyl)methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1-morpholin-4-ylcyclohexyl)methanone
PubChem CID91773494
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1-morpholin-4-ylcyclohexyl)methanone
SMILESCn1nc(CO)c2c1CCN(C(=O)C1(N3CCOCC3)CCCCC1)C2
InChIInChI=1S/C19H30N4O3/c1-21-17-5-8-22(13-15(17)16(14-24)20-21)18(25)19(6-3-2-4-7-19)23-9-11-26-12-10-23/h24H,2-14H2,1H3
InChIKeyFNZQIHKKJOOKHI-UHFFFAOYSA-N
XLogP0.83
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1-morpholin-4-ylcyclohexyl)methanone?
The IUPAC name of [3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1-morpholin-4-ylcyclohexyl)methanone (CID 91773494) is [3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1-morpholin-4-ylcyclohexyl)methanone.
What is the SMILES notation for [3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1-morpholin-4-ylcyclohexyl)methanone?
The canonical SMILES for [3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1-morpholin-4-ylcyclohexyl)methanone is Cn1nc(CO)c2c1CCN(C(=O)C1(N3CCOCC3)CCCCC1)C2.
What is the InChIKey of [3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1-morpholin-4-ylcyclohexyl)methanone?
The InChIKey is FNZQIHKKJOOKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-21-17-5-8-22(13-15(17)16(14-24)20-21)18(25)19(6-3-2-4-7-19)23-9-11-26-12-10-23/h24H,2-14H2,1H3.
What are the key properties of [3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1-morpholin-4-ylcyclohexyl)methanone?
[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1-morpholin-4-ylcyclohexyl)methanone has a molecular weight of 362.47 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1-morpholin-4-ylcyclohexyl)methanone is sourced from PubChem (CID 91773494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).