6-[4-[[5-chloro-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile

C22H21ClN8 — CID 142429823

IUPAC6-[4-[[5-chloro-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc3c(NC4CCN(c5ccc(C#N)cn5)CC4)c(Cl)cnc3[nH]2)cn1
InChIInChI=1S/C22H21ClN8/c1-30-13-15(11-27-30)19-8-17-21(18(23)12-26-22(17)29-19)28-16-4-6-31(7-5-16)20-3-2-14(9-24)10-25-20/h2-3,8,10-13,16H,4-7H2,1H3,(H2,26,28,29)
InChIKeyZHCKOIPAKSDCTO-UHFFFAOYSA-N
MW432.92 g/mol
LogP3.96
Rot. Bonds4

About 6-[4-[[5-chloro-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile

6-[4-[[5-chloro-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 142429823) has the molecular formula C22H21ClN8 and a molecular weight of 432.92 g/mol. Its IUPAC name is 6-[4-[[5-chloro-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[[5-chloro-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID142429823
Molecular FormulaC22H21ClN8
Molecular Weight432.92 g/mol
Exact Mass432.16
IUPAC Name6-[4-[[5-chloro-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc3c(NC4CCN(c5ccc(C#N)cn5)CC4)c(Cl)cnc3[nH]2)cn1
InChIInChI=1S/C22H21ClN8/c1-30-13-15(11-27-30)19-8-17-21(18(23)12-26-22(17)29-19)28-16-4-6-31(7-5-16)20-3-2-14(9-24)10-25-20/h2-3,8,10-13,16H,4-7H2,1H3,(H2,26,28,29)
InChIKeyZHCKOIPAKSDCTO-UHFFFAOYSA-N
XLogP3.96
TPSA98.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.92
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[4-[[5-chloro-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[[5-chloro-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[[5-chloro-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile (CID 142429823) is 6-[4-[[5-chloro-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[[5-chloro-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[[5-chloro-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile is Cn1cc(-c2cc3c(NC4CCN(c5ccc(C#N)cn5)CC4)c(Cl)cnc3[nH]2)cn1.
What is the InChIKey of 6-[4-[[5-chloro-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is ZHCKOIPAKSDCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN8/c1-30-13-15(11-27-30)19-8-17-21(18(23)12-26-22(17)29-19)28-16-4-6-31(7-5-16)20-3-2-14(9-24)10-25-20/h2-3,8,10-13,16H,4-7H2,1H3,(H2,26,28,29).
What are the key properties of 6-[4-[[5-chloro-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile?
6-[4-[[5-chloro-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 432.92 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[5-chloro-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 142429823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).