6-(1-propan-2-ylpyrazol-4-yl)-4-[6-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile

C28H27N9O — CID 168856816

About 6-(1-propan-2-ylpyrazol-4-yl)-4-[6-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile

6-(1-propan-2-ylpyrazol-4-yl)-4-[6-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile (PubChem CID 168856816) has the molecular formula C28H27N9O and a molecular weight of 505.59 g/mol. Its IUPAC name is 6-(1-propan-2-ylpyrazol-4-yl)-4-[6-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-(1-propan-2-ylpyrazol-4-yl)-4-[6-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
• PubChem CID: 168856816
• Molecular Formula: C28H27N9O
• Molecular Weight: 505.59 g/mol
• Exact Mass: 505.23
• IUPAC Name: 6-(1-propan-2-ylpyrazol-4-yl)-4-[6-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
• SMILES: CC(C)n1cc(-c2cn3ncc(C#N)c3c(-c3ccc(N4CC[C@H](OCc5ccccn5)C4)nc3)n2)cn1
• InChI: InChI=1S/C28H27N9O/c1-19(2)36-15-22(14-32-36)25-17-37-28(21(11-29)13-33-37)27(34-25)20-6-7-26(31-12-20)35-10-8-24(16-35)38-18-23-5-3-4-9-30-23/h3-7,9,12-15,17,19,24H,8,10,16,18H2,1-2H3/t24-/m0/s1
• InChIKey: PMQHJVNFHXNSPW-DEOSSOPVSA-N
• XLogP: 4.30
• TPSA: 110.05 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.59
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-(1-propan-2-ylpyrazol-4-yl)-4-[6-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?

The IUPAC name of 6-(1-propan-2-ylpyrazol-4-yl)-4-[6-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile (CID 168856816) is 6-(1-propan-2-ylpyrazol-4-yl)-4-[6-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile.

What is the SMILES notation for 6-(1-propan-2-ylpyrazol-4-yl)-4-[6-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?

The canonical SMILES for 6-(1-propan-2-ylpyrazol-4-yl)-4-[6-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile is CC(C)n1cc(-c2cn3ncc(C#N)c3c(-c3ccc(N4CC[C@H](OCc5ccccn5)C4)nc3)n2)cn1.

What is the InChIKey of 6-(1-propan-2-ylpyrazol-4-yl)-4-[6-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?

The InChIKey is PMQHJVNFHXNSPW-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H27N9O/c1-19(2)36-15-22(14-32-36)25-17-37-28(21(11-29)13-33-37)27(34-25)20-6-7-26(31-12-20)35-10-8-24(16-35)38-18-23-5-3-4-9-30-23/h3-7,9,12-15,17,19,24H,8,10,16,18H2,1-2H3/t24-/m0/s1.

What are the key properties of 6-(1-propan-2-ylpyrazol-4-yl)-4-[6-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?

6-(1-propan-2-ylpyrazol-4-yl)-4-[6-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile has a molecular weight of 505.59 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-propan-2-ylpyrazol-4-yl)-4-[6-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile is sourced from PubChem (CID 168856816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).