6-(1-methylpyrazol-4-yl)-4-[6-[4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C30H34N10O2 — CID 126740234

IUPAC6-(1-methylpyrazol-4-yl)-4-[6-[4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CCN(C(=O)N5CCC(N6CCOCC6)C5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C30H34N10O2/c1-35-19-25(18-33-35)23-14-27(29-24(15-31)17-34-40(29)20-23)22-2-3-28(32-16-22)37-6-8-38(9-7-37)30(41)39-5-4-26(21-39)36-10-12-42-13-11-36/h2-3,14,16-20,26H,4-13,21H2,1H3
InChIKeyTZJSNNJEOHJQAG-UHFFFAOYSA-N
MW566.67 g/mol
LogP2.32
Rot. Bonds4

About 6-(1-methylpyrazol-4-yl)-4-[6-[4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(1-methylpyrazol-4-yl)-4-[6-[4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 126740234) has the molecular formula C30H34N10O2 and a molecular weight of 566.67 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-4-[6-[4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-4-[6-[4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID126740234
Molecular FormulaC30H34N10O2
Molecular Weight566.67 g/mol
Exact Mass566.29
IUPAC Name6-(1-methylpyrazol-4-yl)-4-[6-[4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CCN(C(=O)N5CCC(N6CCOCC6)C5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C30H34N10O2/c1-35-19-25(18-33-35)23-14-27(29-24(15-31)17-34-40(29)20-23)22-2-3-28(32-16-22)37-6-8-38(9-7-37)30(41)39-5-4-26(21-39)36-10-12-42-13-11-36/h2-3,14,16-20,26H,4-13,21H2,1H3
InChIKeyTZJSNNJEOHJQAG-UHFFFAOYSA-N
XLogP2.32
TPSA111.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.67
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-4-[6-[4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-4-[6-[4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 126740234) is 6-(1-methylpyrazol-4-yl)-4-[6-[4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-4-[6-[4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-4-[6-[4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)N5CCC(N6CCOCC6)C5)CC4)nc3)c3c(C#N)cnn3c2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-4-[6-[4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is TZJSNNJEOHJQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N10O2/c1-35-19-25(18-33-35)23-14-27(29-24(15-31)17-34-40(29)20-23)22-2-3-28(32-16-22)37-6-8-38(9-7-37)30(41)39-5-4-26(21-39)36-10-12-42-13-11-36/h2-3,14,16-20,26H,4-13,21H2,1H3.
What are the key properties of 6-(1-methylpyrazol-4-yl)-4-[6-[4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-(1-methylpyrazol-4-yl)-4-[6-[4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 566.67 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-4-[6-[4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 126740234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).