6-[(Z)-1-amino-3-[1-[(3S)-1-cyanopyrrolidin-3-yl]azetidin-3-yl]iminobut-1-en-2-yl]-4-[[(1R)-1-pyridin-2-ylethyl]amino]pyrazolo[1,5-a]pyridine-3-carbonitrile

C27H30N10 — CID 164920761

About 6-[(Z)-1-amino-3-[1-[(3S)-1-cyanopyrrolidin-3-yl]azetidin-3-yl]iminobut-1-en-2-yl]-4-[[(1R)-1-pyridin-2-ylethyl]amino]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-[(Z)-1-amino-3-[1-[(3S)-1-cyanopyrrolidin-3-yl]azetidin-3-yl]iminobut-1-en-2-yl]-4-[[(1R)-1-pyridin-2-ylethyl]amino]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 164920761) has the molecular formula C27H30N10 and a molecular weight of 494.61 g/mol. Its IUPAC name is 6-[(Z)-1-amino-3-[1-[(3S)-1-cyanopyrrolidin-3-yl]azetidin-3-yl]iminobut-1-en-2-yl]-4-[[(1R)-1-pyridin-2-ylethyl]amino]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[(Z)-1-amino-3-[1-[(3S)-1-cyanopyrrolidin-3-yl]azetidin-3-yl]iminobut-1-en-2-yl]-4-[[(1R)-1-pyridin-2-ylethyl]amino]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 164920761
• Molecular Formula: C27H30N10
• Molecular Weight: 494.61 g/mol
• Exact Mass: 494.27
• IUPAC Name: 6-[(Z)-1-amino-3-[1-[(3S)-1-cyanopyrrolidin-3-yl]azetidin-3-yl]iminobut-1-en-2-yl]-4-[[(1R)-1-pyridin-2-ylethyl]amino]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: CC(=N\C1CN([C@H]2CCN(C#N)C2)C1)/C(=C\N)c1cc(N[C@H](C)c2ccccn2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C27H30N10/c1-18(33-22-14-36(15-22)23-6-8-35(16-23)17-30)24(11-29)20-9-26(27-21(10-28)12-32-37(27)13-20)34-19(2)25-5-3-4-7-31-25/h3-5,7,9,11-13,19,22-23,34H,6,8,14-16,29H2,1-2H3/b24-11+,33-18+/t19-,23+/m1/s1
• InChIKey: IBIZGWKESOTHHR-SUIWXXNJSA-N
• XLogP: 2.77
• TPSA: 134.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.61
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-1-amino-3-[1-[(3S)-1-cyanopyrrolidin-3-yl]azetidin-3-yl]iminobut-1-en-2-yl]-4-[[(1R)-1-pyridin-2-ylethyl]amino]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-[(Z)-1-amino-3-[1-[(3S)-1-cyanopyrrolidin-3-yl]azetidin-3-yl]iminobut-1-en-2-yl]-4-[[(1R)-1-pyridin-2-ylethyl]amino]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 164920761) is 6-[(Z)-1-amino-3-[1-[(3S)-1-cyanopyrrolidin-3-yl]azetidin-3-yl]iminobut-1-en-2-yl]-4-[[(1R)-1-pyridin-2-ylethyl]amino]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[(Z)-1-amino-3-[1-[(3S)-1-cyanopyrrolidin-3-yl]azetidin-3-yl]iminobut-1-en-2-yl]-4-[[(1R)-1-pyridin-2-ylethyl]amino]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-[(Z)-1-amino-3-[1-[(3S)-1-cyanopyrrolidin-3-yl]azetidin-3-yl]iminobut-1-en-2-yl]-4-[[(1R)-1-pyridin-2-ylethyl]amino]pyrazolo[1,5-a]pyridine-3-carbonitrile is CC(=N\C1CN([C@H]2CCN(C#N)C2)C1)/C(=C\N)c1cc(N[C@H](C)c2ccccn2)c2c(C#N)cnn2c1.

What is the InChIKey of 6-[(Z)-1-amino-3-[1-[(3S)-1-cyanopyrrolidin-3-yl]azetidin-3-yl]iminobut-1-en-2-yl]-4-[[(1R)-1-pyridin-2-ylethyl]amino]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is IBIZGWKESOTHHR-SUIWXXNJSA-N. The full InChI is InChI=1S/C27H30N10/c1-18(33-22-14-36(15-22)23-6-8-35(16-23)17-30)24(11-29)20-9-26(27-21(10-28)12-32-37(27)13-20)34-19(2)25-5-3-4-7-31-25/h3-5,7,9,11-13,19,22-23,34H,6,8,14-16,29H2,1-2H3/b24-11+,33-18+/t19-,23+/m1/s1.

What are the key properties of 6-[(Z)-1-amino-3-[1-[(3S)-1-cyanopyrrolidin-3-yl]azetidin-3-yl]iminobut-1-en-2-yl]-4-[[(1R)-1-pyridin-2-ylethyl]amino]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-[(Z)-1-amino-3-[1-[(3S)-1-cyanopyrrolidin-3-yl]azetidin-3-yl]iminobut-1-en-2-yl]-4-[[(1R)-1-pyridin-2-ylethyl]amino]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 494.61 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(Z)-1-amino-3-[1-[(3S)-1-cyanopyrrolidin-3-yl]azetidin-3-yl]iminobut-1-en-2-yl]-4-[[(1R)-1-pyridin-2-ylethyl]amino]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 164920761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).