[(3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl] carbamate

C20H22ClN5O4 — CID 175200669

IUPAC[(3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl] carbamate
SMILESCCOc1cc(-c2ccc(N3CC[C@H](OC(N)=O)[C@@H](O)C3)nc2)c2c(Cl)cnn2c1
InChIInChI=1S/C20H22ClN5O4/c1-2-29-13-7-14(19-15(21)9-24-26(19)10-13)12-3-4-18(23-8-12)25-6-5-17(16(27)11-25)30-20(22)28/h3-4,7-10,16-17,27H,2,5-6,11H2,1H3,(H2,22,28)/t16-,17-/m0/s1
InChIKeyNMSVNGXHUGXAGV-IRXDYDNUSA-N
MW431.88 g/mol
LogP2.48
Rot. Bonds5

About [(3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl] carbamate

[(3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl] carbamate (PubChem CID 175200669) has the molecular formula C20H22ClN5O4 and a molecular weight of 431.88 g/mol. Its IUPAC name is [(3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl] carbamate.

Molecular Properties

Compound Name[(3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl] carbamate
PubChem CID175200669
Molecular FormulaC20H22ClN5O4
Molecular Weight431.88 g/mol
Exact Mass431.14
IUPAC Name[(3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl] carbamate
SMILESCCOc1cc(-c2ccc(N3CC[C@H](OC(N)=O)[C@@H](O)C3)nc2)c2c(Cl)cnn2c1
InChIInChI=1S/C20H22ClN5O4/c1-2-29-13-7-14(19-15(21)9-24-26(19)10-13)12-3-4-18(23-8-12)25-6-5-17(16(27)11-25)30-20(22)28/h3-4,7-10,16-17,27H,2,5-6,11H2,1H3,(H2,22,28)/t16-,17-/m0/s1
InChIKeyNMSVNGXHUGXAGV-IRXDYDNUSA-N
XLogP2.48
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.88
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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
6-ethoxy-4-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435389
4-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134434609
[(3R,4R)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-hydroxypiperidin-3-yl]carbamic acid
CID 134497021
[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]carbamic acid
CID 134496884
1-[3-chloro-4-[6-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol
CID 134436432
3-chloro-N-[[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]methyl]pyridine-2-carboxamide
CID 134497168
1-[4-[6-(4-anilinopiperidin-1-yl)-3-pyridinyl]-3-chloropyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol
CID 134435436
[(3S,4S)-1-(5-chloropyrazin-2-yl)-3-hydroxypiperidin-4-yl] carbamate
CID 175183971
3-chloro-N-[2-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]ethyl]pyridine-2-carboxamide
CID 146322566
[(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

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl] carbamate?
The IUPAC name of [(3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl] carbamate (CID 175200669) is [(3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl] carbamate.
What is the SMILES notation for [(3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl] carbamate?
The canonical SMILES for [(3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl] carbamate is CCOc1cc(-c2ccc(N3CC[C@H](OC(N)=O)[C@@H](O)C3)nc2)c2c(Cl)cnn2c1.
What is the InChIKey of [(3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl] carbamate?
The InChIKey is NMSVNGXHUGXAGV-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H22ClN5O4/c1-2-29-13-7-14(19-15(21)9-24-26(19)10-13)12-3-4-18(23-8-12)25-6-5-17(16(27)11-25)30-20(22)28/h3-4,7-10,16-17,27H,2,5-6,11H2,1H3,(H2,22,28)/t16-,17-/m0/s1.
What are the key properties of [(3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl] carbamate?
[(3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl] carbamate has a molecular weight of 431.88 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl] carbamate is sourced from PubChem (CID 175200669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).