4-(1H-indazol-5-yl)-1-methyl-2-[[(3R)-3-methylpiperidin-1-yl]methyl]pyrrolo[2,3-b]pyridine

C22H25N5 — CID 177354705

IUPAC4-(1H-indazol-5-yl)-1-methyl-2-[[(3R)-3-methylpiperidin-1-yl]methyl]pyrrolo[2,3-b]pyridine
SMILESC[C@@H]1CCCN(Cc2cc3c(-c4ccc5[nH]ncc5c4)ccnc3n2C)C1
InChIInChI=1S/C22H25N5/c1-15-4-3-9-27(13-15)14-18-11-20-19(7-8-23-22(20)26(18)2)16-5-6-21-17(10-16)12-24-25-21/h5-8,10-12,15H,3-4,9,13-14H2,1-2H3,(H,24,25)/t15-/m1/s1
InChIKeyYUQPZFGWSTXNCZ-OAHLLOKOSA-N
MW359.48 g/mol
LogP4.35
Rot. Bonds3

About 4-(1H-indazol-5-yl)-1-methyl-2-[[(3R)-3-methylpiperidin-1-yl]methyl]pyrrolo[2,3-b]pyridine

4-(1H-indazol-5-yl)-1-methyl-2-[[(3R)-3-methylpiperidin-1-yl]methyl]pyrrolo[2,3-b]pyridine (PubChem CID 177354705) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is 4-(1H-indazol-5-yl)-1-methyl-2-[[(3R)-3-methylpiperidin-1-yl]methyl]pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(1H-indazol-5-yl)-1-methyl-2-[[(3R)-3-methylpiperidin-1-yl]methyl]pyrrolo[2,3-b]pyridine
PubChem CID177354705
Molecular FormulaC22H25N5
Molecular Weight359.48 g/mol
Exact Mass359.21
IUPAC Name4-(1H-indazol-5-yl)-1-methyl-2-[[(3R)-3-methylpiperidin-1-yl]methyl]pyrrolo[2,3-b]pyridine
SMILESC[C@@H]1CCCN(Cc2cc3c(-c4ccc5[nH]ncc5c4)ccnc3n2C)C1
InChIInChI=1S/C22H25N5/c1-15-4-3-9-27(13-15)14-18-11-20-19(7-8-23-22(20)26(18)2)16-5-6-21-17(10-16)12-24-25-21/h5-8,10-12,15H,3-4,9,13-14H2,1-2H3,(H,24,25)/t15-/m1/s1
InChIKeyYUQPZFGWSTXNCZ-OAHLLOKOSA-N
XLogP4.35
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indazol-5-yl)-1-methyl-2-[[(3R)-3-methylpiperidin-1-yl]methyl]pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(1H-indazol-5-yl)-1-methyl-2-[[(3R)-3-methylpiperidin-1-yl]methyl]pyrrolo[2,3-b]pyridine (CID 177354705) is 4-(1H-indazol-5-yl)-1-methyl-2-[[(3R)-3-methylpiperidin-1-yl]methyl]pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(1H-indazol-5-yl)-1-methyl-2-[[(3R)-3-methylpiperidin-1-yl]methyl]pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(1H-indazol-5-yl)-1-methyl-2-[[(3R)-3-methylpiperidin-1-yl]methyl]pyrrolo[2,3-b]pyridine is C[C@@H]1CCCN(Cc2cc3c(-c4ccc5[nH]ncc5c4)ccnc3n2C)C1.
What is the InChIKey of 4-(1H-indazol-5-yl)-1-methyl-2-[[(3R)-3-methylpiperidin-1-yl]methyl]pyrrolo[2,3-b]pyridine?
The InChIKey is YUQPZFGWSTXNCZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H25N5/c1-15-4-3-9-27(13-15)14-18-11-20-19(7-8-23-22(20)26(18)2)16-5-6-21-17(10-16)12-24-25-21/h5-8,10-12,15H,3-4,9,13-14H2,1-2H3,(H,24,25)/t15-/m1/s1.
What are the key properties of 4-(1H-indazol-5-yl)-1-methyl-2-[[(3R)-3-methylpiperidin-1-yl]methyl]pyrrolo[2,3-b]pyridine?
4-(1H-indazol-5-yl)-1-methyl-2-[[(3R)-3-methylpiperidin-1-yl]methyl]pyrrolo[2,3-b]pyridine has a molecular weight of 359.48 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indazol-5-yl)-1-methyl-2-[[(3R)-3-methylpiperidin-1-yl]methyl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 177354705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).