(3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(6-methoxy-3-pyridinyl)oxy]pyrrolidin-3-amine

C24H25ClN6O3 — CID 134436178

IUPAC(3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(6-methoxy-3-pyridinyl)oxy]pyrrolidin-3-amine
SMILESCCOc1cc(-c2ccc(N3C[C@H](Oc4ccc(OC)nc4)[C@@H](N)C3)nc2)c2c(Cl)cnn2c1
InChIInChI=1S/C24H25ClN6O3/c1-3-33-17-8-18(24-19(25)11-29-31(24)12-17)15-4-6-22(27-9-15)30-13-20(26)21(14-30)34-16-5-7-23(32-2)28-10-16/h4-12,20-21H,3,13-14,26H2,1-2H3/t20-,21-/m0/s1
InChIKeyZQZPJXLWKPPAEU-SFTDATJTSA-N
MW480.96 g/mol
LogP3.45
Rot. Bonds7

About (3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(6-methoxy-3-pyridinyl)oxy]pyrrolidin-3-amine

(3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(6-methoxy-3-pyridinyl)oxy]pyrrolidin-3-amine (PubChem CID 134436178) has the molecular formula C24H25ClN6O3 and a molecular weight of 480.96 g/mol. Its IUPAC name is (3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(6-methoxy-3-pyridinyl)oxy]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(6-methoxy-3-pyridinyl)oxy]pyrrolidin-3-amine
PubChem CID134436178
Molecular FormulaC24H25ClN6O3
Molecular Weight480.96 g/mol
Exact Mass480.17
IUPAC Name(3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(6-methoxy-3-pyridinyl)oxy]pyrrolidin-3-amine
SMILESCCOc1cc(-c2ccc(N3C[C@H](Oc4ccc(OC)nc4)[C@@H](N)C3)nc2)c2c(Cl)cnn2c1
InChIInChI=1S/C24H25ClN6O3/c1-3-33-17-8-18(24-19(25)11-29-31(24)12-17)15-4-6-22(27-9-15)30-13-20(26)21(14-30)34-16-5-7-23(32-2)28-10-16/h4-12,20-21H,3,13-14,26H2,1-2H3/t20-,21-/m0/s1
InChIKeyZQZPJXLWKPPAEU-SFTDATJTSA-N
XLogP3.45
TPSA100.03 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.96
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(6-methoxy-3-pyridinyl)oxy]pyrrolidin-3-amine with MolForge

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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]-4-[(6-methoxy-3-pyridinyl)oxy]pyrrolidin-3-amine?
The IUPAC name of (3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(6-methoxy-3-pyridinyl)oxy]pyrrolidin-3-amine (CID 134436178) is (3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(6-methoxy-3-pyridinyl)oxy]pyrrolidin-3-amine.
What is the SMILES notation for (3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(6-methoxy-3-pyridinyl)oxy]pyrrolidin-3-amine?
The canonical SMILES for (3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(6-methoxy-3-pyridinyl)oxy]pyrrolidin-3-amine is CCOc1cc(-c2ccc(N3C[C@H](Oc4ccc(OC)nc4)[C@@H](N)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]-4-[(6-methoxy-3-pyridinyl)oxy]pyrrolidin-3-amine?
The InChIKey is ZQZPJXLWKPPAEU-SFTDATJTSA-N. The full InChI is InChI=1S/C24H25ClN6O3/c1-3-33-17-8-18(24-19(25)11-29-31(24)12-17)15-4-6-22(27-9-15)30-13-20(26)21(14-30)34-16-5-7-23(32-2)28-10-16/h4-12,20-21H,3,13-14,26H2,1-2H3/t20-,21-/m0/s1.
What are the key properties of (3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(6-methoxy-3-pyridinyl)oxy]pyrrolidin-3-amine?
(3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(6-methoxy-3-pyridinyl)oxy]pyrrolidin-3-amine has a molecular weight of 480.96 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 9 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]-4-[(6-methoxy-3-pyridinyl)oxy]pyrrolidin-3-amine is sourced from PubChem (CID 134436178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).