2-[4-[1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone

C25H37N7O3 — CID 50840036

IUPAC2-[4-[1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCCn1nc(C)c2ccnc(N3CCC(C(=O)N4CCN(CC(=O)N5CCOCC5)CC4)CC3)c21
InChIInChI=1S/C25H37N7O3/c1-3-32-23-21(19(2)27-32)4-7-26-24(23)30-8-5-20(6-9-30)25(34)31-12-10-28(11-13-31)18-22(33)29-14-16-35-17-15-29/h4,7,20H,3,5-6,8-18H2,1-2H3
InChIKeyNLAVAWVRZQFJAV-UHFFFAOYSA-N
MW483.62 g/mol
LogP0.98
Rot. Bonds5

About 2-[4-[1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone

2-[4-[1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 50840036) has the molecular formula C25H37N7O3 and a molecular weight of 483.62 g/mol. Its IUPAC name is 2-[4-[1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone
PubChem CID50840036
Molecular FormulaC25H37N7O3
Molecular Weight483.62 g/mol
Exact Mass483.30
IUPAC Name2-[4-[1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCCn1nc(C)c2ccnc(N3CCC(C(=O)N4CCN(CC(=O)N5CCOCC5)CC4)CC3)c21
InChIInChI=1S/C25H37N7O3/c1-3-32-23-21(19(2)27-32)4-7-26-24(23)30-8-5-20(6-9-30)25(34)31-12-10-28(11-13-31)18-22(33)29-14-16-35-17-15-29/h4,7,20H,3,5-6,8-18H2,1-2H3
InChIKeyNLAVAWVRZQFJAV-UHFFFAOYSA-N
XLogP0.98
TPSA87.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-[1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidin-4-yl]methanone
CID 50840078
[1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 50840215
1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 46396137
1-(4-benzylpiperazin-1-yl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 55446651
N-[(3,4-dimethoxyphenyl)methyl]-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide
CID 50840161
1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 92898904
(4-ethylpiperazin-1-yl)-[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]methanone
CID 53165758
4-methyl-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 50781233
(4-ethylpiperazin-1-yl)-[1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidin-4-yl]methanone
CID 53129921
[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 166600805
1-[4-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55485951
1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 110604424

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone (CID 50840036) is 2-[4-[1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone is CCn1nc(C)c2ccnc(N3CCC(C(=O)N4CCN(CC(=O)N5CCOCC5)CC4)CC3)c21.
What is the InChIKey of 2-[4-[1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is NLAVAWVRZQFJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N7O3/c1-3-32-23-21(19(2)27-32)4-7-26-24(23)30-8-5-20(6-9-30)25(34)31-12-10-28(11-13-31)18-22(33)29-14-16-35-17-15-29/h4,7,20H,3,5-6,8-18H2,1-2H3.
What are the key properties of 2-[4-[1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
2-[4-[1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 483.62 g/mol, XLogP of 0.98, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 50840036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).