4-[6-[(3S,4S)-3-amino-4-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile

C25H24FN7O3 — CID 134434826

IUPAC4-[6-[(3S,4S)-3-amino-4-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3C[C@H](Oc4cnc(OC)c(F)c4)[C@@H](N)C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C25H24FN7O3/c1-3-35-18-6-19(24-16(8-27)10-31-33(24)12-18)15-4-5-23(29-9-15)32-13-21(28)22(14-32)36-17-7-20(26)25(34-2)30-11-17/h4-7,9-12,21-22H,3,13-14,28H2,1-2H3/t21-,22-/m0/s1
InChIKeyXMHPDPALNSGILW-VXKWHMMOSA-N
MW489.51 g/mol
LogP2.80
Rot. Bonds7

About 4-[6-[(3S,4S)-3-amino-4-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[(3S,4S)-3-amino-4-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134434826) has the molecular formula C25H24FN7O3 and a molecular weight of 489.51 g/mol. Its IUPAC name is 4-[6-[(3S,4S)-3-amino-4-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[(3S,4S)-3-amino-4-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134434826
Molecular FormulaC25H24FN7O3
Molecular Weight489.51 g/mol
Exact Mass489.19
IUPAC Name4-[6-[(3S,4S)-3-amino-4-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3C[C@H](Oc4cnc(OC)c(F)c4)[C@@H](N)C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C25H24FN7O3/c1-3-35-18-6-19(24-16(8-27)10-31-33(24)12-18)15-4-5-23(29-9-15)32-13-21(28)22(14-32)36-17-7-20(26)25(34-2)30-11-17/h4-7,9-12,21-22H,3,13-14,28H2,1-2H3/t21-,22-/m0/s1
InChIKeyXMHPDPALNSGILW-VXKWHMMOSA-N
XLogP2.80
TPSA123.82 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.51
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-[6-[(3S,4S)-3-amino-4-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(3S,4S)-3-amino-4-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[(3S,4S)-3-amino-4-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134434826) is 4-[6-[(3S,4S)-3-amino-4-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[(3S,4S)-3-amino-4-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[(3S,4S)-3-amino-4-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile is CCOc1cc(-c2ccc(N3C[C@H](Oc4cnc(OC)c(F)c4)[C@@H](N)C3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 4-[6-[(3S,4S)-3-amino-4-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is XMHPDPALNSGILW-VXKWHMMOSA-N. The full InChI is InChI=1S/C25H24FN7O3/c1-3-35-18-6-19(24-16(8-27)10-31-33(24)12-18)15-4-5-23(29-9-15)32-13-21(28)22(14-32)36-17-7-20(26)25(34-2)30-11-17/h4-7,9-12,21-22H,3,13-14,28H2,1-2H3/t21-,22-/m0/s1.
What are the key properties of 4-[6-[(3S,4S)-3-amino-4-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[(3S,4S)-3-amino-4-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 489.51 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(3S,4S)-3-amino-4-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134434826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).