4-[6-[(3S,4S)-3-amino-4-(6-chloropyridazin-3-yl)oxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile

C23H21ClN8O2 — CID 134435306

IUPAC4-[6-[(3S,4S)-3-amino-4-(6-chloropyridazin-3-yl)oxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3C[C@H](Oc4ccc(Cl)nn4)[C@@H](N)C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C23H21ClN8O2/c1-2-33-16-7-17(23-15(8-25)10-28-32(23)11-16)14-3-5-21(27-9-14)31-12-18(26)19(13-31)34-22-6-4-20(24)29-30-22/h3-7,9-11,18-19H,2,12-13,26H2,1H3/t18-,19-/m0/s1
InChIKeyYBZZSGMHCOBKSY-OALUTQOASA-N
MW476.93 g/mol
LogP2.70
Rot. Bonds6

About 4-[6-[(3S,4S)-3-amino-4-(6-chloropyridazin-3-yl)oxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[(3S,4S)-3-amino-4-(6-chloropyridazin-3-yl)oxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134435306) has the molecular formula C23H21ClN8O2 and a molecular weight of 476.93 g/mol. Its IUPAC name is 4-[6-[(3S,4S)-3-amino-4-(6-chloropyridazin-3-yl)oxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[(3S,4S)-3-amino-4-(6-chloropyridazin-3-yl)oxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134435306
Molecular FormulaC23H21ClN8O2
Molecular Weight476.93 g/mol
Exact Mass476.15
IUPAC Name4-[6-[(3S,4S)-3-amino-4-(6-chloropyridazin-3-yl)oxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3C[C@H](Oc4ccc(Cl)nn4)[C@@H](N)C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C23H21ClN8O2/c1-2-33-16-7-17(23-15(8-25)10-28-32(23)11-16)14-3-5-21(27-9-14)31-12-18(26)19(13-31)34-22-6-4-20(24)29-30-22/h3-7,9-11,18-19H,2,12-13,26H2,1H3/t18-,19-/m0/s1
InChIKeyYBZZSGMHCOBKSY-OALUTQOASA-N
XLogP2.70
TPSA127.48 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.93
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-[6-[(3S,4S)-3-amino-4-(6-chloropyridazin-3-yl)oxypyrrolidin-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-(6-chloropyridazin-3-yl)oxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[(3S,4S)-3-amino-4-(6-chloropyridazin-3-yl)oxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134435306) is 4-[6-[(3S,4S)-3-amino-4-(6-chloropyridazin-3-yl)oxypyrrolidin-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-(6-chloropyridazin-3-yl)oxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[(3S,4S)-3-amino-4-(6-chloropyridazin-3-yl)oxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile is CCOc1cc(-c2ccc(N3C[C@H](Oc4ccc(Cl)nn4)[C@@H](N)C3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 4-[6-[(3S,4S)-3-amino-4-(6-chloropyridazin-3-yl)oxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is YBZZSGMHCOBKSY-OALUTQOASA-N. The full InChI is InChI=1S/C23H21ClN8O2/c1-2-33-16-7-17(23-15(8-25)10-28-32(23)11-16)14-3-5-21(27-9-14)31-12-18(26)19(13-31)34-22-6-4-20(24)29-30-22/h3-7,9-11,18-19H,2,12-13,26H2,1H3/t18-,19-/m0/s1.
What are the key properties of 4-[6-[(3S,4S)-3-amino-4-(6-chloropyridazin-3-yl)oxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[(3S,4S)-3-amino-4-(6-chloropyridazin-3-yl)oxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 476.93 g/mol, XLogP of 2.70, 6 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-(6-chloropyridazin-3-yl)oxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134435306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).