[(3S,4S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-hydroxypiperidin-4-yl]carbamic acid

C20H21N7O4 — CID 134497288

IUPAC[(3S,4S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-hydroxypiperidin-4-yl]carbamic acid
SMILESCCOc1cc(-c2cnc(N3CC[C@H](NC(=O)O)[C@@H](O)C3)cn2)c2c(C#N)cnn2c1
InChIInChI=1S/C20H21N7O4/c1-2-31-13-5-14(19-12(6-21)7-24-27(19)10-13)16-8-23-18(9-22-16)26-4-3-15(17(28)11-26)25-20(29)30/h5,7-10,15,17,25,28H,2-4,11H2,1H3,(H,29,30)/t15-,17-/m0/s1
InChIKeyOPHAKWOOLQITBR-RDJZCZTQSA-N
MW423.43 g/mol
LogP1.27
Rot. Bonds5

About [(3S,4S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-hydroxypiperidin-4-yl]carbamic acid

[(3S,4S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-hydroxypiperidin-4-yl]carbamic acid (PubChem CID 134497288) has the molecular formula C20H21N7O4 and a molecular weight of 423.43 g/mol. Its IUPAC name is [(3S,4S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-hydroxypiperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[(3S,4S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-hydroxypiperidin-4-yl]carbamic acid
PubChem CID134497288
Molecular FormulaC20H21N7O4
Molecular Weight423.43 g/mol
Exact Mass423.17
IUPAC Name[(3S,4S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-hydroxypiperidin-4-yl]carbamic acid
SMILESCCOc1cc(-c2cnc(N3CC[C@H](NC(=O)O)[C@@H](O)C3)cn2)c2c(C#N)cnn2c1
InChIInChI=1S/C20H21N7O4/c1-2-31-13-5-14(19-12(6-21)7-24-27(19)10-13)16-8-23-18(9-22-16)26-4-3-15(17(28)11-26)25-20(29)30/h5,7-10,15,17,25,28H,2-4,11H2,1H3,(H,29,30)/t15-,17-/m0/s1
InChIKeyOPHAKWOOLQITBR-RDJZCZTQSA-N
XLogP1.27
TPSA148.90 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

[(3S,4S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]carbamic acid
CID 134496998
[(3R,4R)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]carbamic acid
CID 134496805
[(3R,4R)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-hydroxypiperidin-3-yl]carbamic acid
CID 134497021
6-ethoxy-4-[5-(3-hydroxypiperidin-1-yl)pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435679
[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]carbamic acid
CID 134496884
N-[(3S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-3-methylbutanamide
CID 155455830
6-ethoxy-4-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435389
3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylpyridine-2-carboxamide
CID 134436378
4-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134434609
6-ethoxy-4-[6-[(3S,4S)-4-methyl-3-(methylamino)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435641
[(3R,4R)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl] methanesulfonate
CID 134497000
6-ethoxy-4-[6-[4-(4-phenylbut-3-ynoxy)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146667089

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-hydroxypiperidin-4-yl]carbamic acid?
The IUPAC name of [(3S,4S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-hydroxypiperidin-4-yl]carbamic acid (CID 134497288) is [(3S,4S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-hydroxypiperidin-4-yl]carbamic acid.
What is the SMILES notation for [(3S,4S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-hydroxypiperidin-4-yl]carbamic acid?
The canonical SMILES for [(3S,4S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-hydroxypiperidin-4-yl]carbamic acid is CCOc1cc(-c2cnc(N3CC[C@H](NC(=O)O)[C@@H](O)C3)cn2)c2c(C#N)cnn2c1.
What is the InChIKey of [(3S,4S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-hydroxypiperidin-4-yl]carbamic acid?
The InChIKey is OPHAKWOOLQITBR-RDJZCZTQSA-N. The full InChI is InChI=1S/C20H21N7O4/c1-2-31-13-5-14(19-12(6-21)7-24-27(19)10-13)16-8-23-18(9-22-16)26-4-3-15(17(28)11-26)25-20(29)30/h5,7-10,15,17,25,28H,2-4,11H2,1H3,(H,29,30)/t15-,17-/m0/s1.
What are the key properties of [(3S,4S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-hydroxypiperidin-4-yl]carbamic acid?
[(3S,4S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-hydroxypiperidin-4-yl]carbamic acid has a molecular weight of 423.43 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-hydroxypiperidin-4-yl]carbamic acid is sourced from PubChem (CID 134497288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).