3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine

C23H22N6S — CID 137102767

IUPAC3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine
SMILESCc1ccc(-c2nccc3[nH]c(-c4[nH]nc5ncc(C6CCNCC6)cc45)cc23)s1
InChIInChI=1S/C23H22N6S/c1-13-2-3-20(30-13)22-16-11-19(27-18(16)6-9-25-22)21-17-10-15(12-26-23(17)29-28-21)14-4-7-24-8-5-14/h2-3,6,9-12,14,24,27H,4-5,7-8H2,1H3,(H,26,28,29)
InChIKeyPANJNBIKGDMVCF-UHFFFAOYSA-N
MW414.54 g/mol
LogP5.01
Rot. Bonds3

About 3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine

3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137102767) has the molecular formula C23H22N6S and a molecular weight of 414.54 g/mol. Its IUPAC name is 3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine
PubChem CID137102767
Molecular FormulaC23H22N6S
Molecular Weight414.54 g/mol
Exact Mass414.16
IUPAC Name3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine
SMILESCc1ccc(-c2nccc3[nH]c(-c4[nH]nc5ncc(C6CCNCC6)cc45)cc23)s1
InChIInChI=1S/C23H22N6S/c1-13-2-3-20(30-13)22-16-11-19(27-18(16)6-9-25-22)21-17-10-15(12-26-23(17)29-28-21)14-4-7-24-8-5-14/h2-3,6,9-12,14,24,27H,4-5,7-8H2,1H3,(H,26,28,29)
InChIKeyPANJNBIKGDMVCF-UHFFFAOYSA-N
XLogP5.01
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.54
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine
CID 137145128
3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
CID 137310996
5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 137310806
3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine
CID 137040064
1-[5-[2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 137145270
3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 137311162
(3E,5E)-N,N-dimethyl-5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine
CID 145248326
3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine
CID 137280608
5-(1,2,3,6-tetrahydropyridin-4-yl)-3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137145299
3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine
CID 137280718
3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 137311070
1-[5-[2-(5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]thiophen-2-yl]ethanone
CID 137056989

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine (CID 137102767) is 3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine is Cc1ccc(-c2nccc3[nH]c(-c4[nH]nc5ncc(C6CCNCC6)cc45)cc23)s1.
What is the InChIKey of 3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is PANJNBIKGDMVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6S/c1-13-2-3-20(30-13)22-16-11-19(27-18(16)6-9-25-22)21-17-10-15(12-26-23(17)29-28-21)14-4-7-24-8-5-14/h2-3,6,9-12,14,24,27H,4-5,7-8H2,1H3,(H,26,28,29).
What are the key properties of 3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine?
3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 414.54 g/mol, XLogP of 5.01, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137102767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).