4-[2-[(3R,4S)-4-[(7-chloro-1H-pyrazolo[4,5-c]pyridin-4-yl)methylamino]-3-hydroxypiperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one

C22H25ClN8O3 — CID 91800670

IUPAC4-[2-[(3R,4S)-4-[(7-chloro-1H-pyrazolo[4,5-c]pyridin-4-yl)methylamino]-3-hydroxypiperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc2ncc(=O)n(CCN3CC[C@H](NCc4ncc(Cl)c5[nH]ncc45)[C@H](O)C3)c2n1
InChIInChI=1S/C22H25ClN8O3/c1-34-19-3-2-16-22(28-19)31(20(33)11-26-16)7-6-30-5-4-15(18(32)12-30)25-10-17-13-8-27-29-21(13)14(23)9-24-17/h2-3,8-9,11,15,18,25,32H,4-7,10,12H2,1H3,(H,27,29)/t15-,18+/m0/s1
InChIKeyYFRNKYZPROVDGE-MAUKXSAKSA-N
MW484.95 g/mol
LogP0.95
Rot. Bonds7

About 4-[2-[(3R,4S)-4-[(7-chloro-1H-pyrazolo[4,5-c]pyridin-4-yl)methylamino]-3-hydroxypiperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one

4-[2-[(3R,4S)-4-[(7-chloro-1H-pyrazolo[4,5-c]pyridin-4-yl)methylamino]-3-hydroxypiperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one (PubChem CID 91800670) has the molecular formula C22H25ClN8O3 and a molecular weight of 484.95 g/mol. Its IUPAC name is 4-[2-[(3R,4S)-4-[(7-chloro-1H-pyrazolo[4,5-c]pyridin-4-yl)methylamino]-3-hydroxypiperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-[2-[(3R,4S)-4-[(7-chloro-1H-pyrazolo[4,5-c]pyridin-4-yl)methylamino]-3-hydroxypiperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one
PubChem CID91800670
Molecular FormulaC22H25ClN8O3
Molecular Weight484.95 g/mol
Exact Mass484.17
IUPAC Name4-[2-[(3R,4S)-4-[(7-chloro-1H-pyrazolo[4,5-c]pyridin-4-yl)methylamino]-3-hydroxypiperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc2ncc(=O)n(CCN3CC[C@H](NCc4ncc(Cl)c5[nH]ncc45)[C@H](O)C3)c2n1
InChIInChI=1S/C22H25ClN8O3/c1-34-19-3-2-16-22(28-19)31(20(33)11-26-16)7-6-30-5-4-15(18(32)12-30)25-10-17-13-8-27-29-21(13)14(23)9-24-17/h2-3,8-9,11,15,18,25,32H,4-7,10,12H2,1H3,(H,27,29)/t15-,18+/m0/s1
InChIKeyYFRNKYZPROVDGE-MAUKXSAKSA-N
XLogP0.95
TPSA134.08 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.95
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 4-[2-[(3R,4S)-4-[(7-chloro-1H-pyrazolo[4,5-c]pyridin-4-yl)methylamino]-3-hydroxypiperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3R,4S)-4-[(7-chloro-1H-pyrazolo[4,5-c]pyridin-4-yl)methylamino]-3-hydroxypiperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-[2-[(3R,4S)-4-[(7-chloro-1H-pyrazolo[4,5-c]pyridin-4-yl)methylamino]-3-hydroxypiperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one (CID 91800670) is 4-[2-[(3R,4S)-4-[(7-chloro-1H-pyrazolo[4,5-c]pyridin-4-yl)methylamino]-3-hydroxypiperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-[2-[(3R,4S)-4-[(7-chloro-1H-pyrazolo[4,5-c]pyridin-4-yl)methylamino]-3-hydroxypiperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-[2-[(3R,4S)-4-[(7-chloro-1H-pyrazolo[4,5-c]pyridin-4-yl)methylamino]-3-hydroxypiperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one is COc1ccc2ncc(=O)n(CCN3CC[C@H](NCc4ncc(Cl)c5[nH]ncc45)[C@H](O)C3)c2n1.
What is the InChIKey of 4-[2-[(3R,4S)-4-[(7-chloro-1H-pyrazolo[4,5-c]pyridin-4-yl)methylamino]-3-hydroxypiperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one?
The InChIKey is YFRNKYZPROVDGE-MAUKXSAKSA-N. The full InChI is InChI=1S/C22H25ClN8O3/c1-34-19-3-2-16-22(28-19)31(20(33)11-26-16)7-6-30-5-4-15(18(32)12-30)25-10-17-13-8-27-29-21(13)14(23)9-24-17/h2-3,8-9,11,15,18,25,32H,4-7,10,12H2,1H3,(H,27,29)/t15-,18+/m0/s1.
What are the key properties of 4-[2-[(3R,4S)-4-[(7-chloro-1H-pyrazolo[4,5-c]pyridin-4-yl)methylamino]-3-hydroxypiperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one?
4-[2-[(3R,4S)-4-[(7-chloro-1H-pyrazolo[4,5-c]pyridin-4-yl)methylamino]-3-hydroxypiperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one has a molecular weight of 484.95 g/mol, XLogP of 0.95, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3R,4S)-4-[(7-chloro-1H-pyrazolo[4,5-c]pyridin-4-yl)methylamino]-3-hydroxypiperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 91800670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).