N,N,6-trimethyl-5-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pyridin-2-amine

C21H21N7S — CID 44589329

IUPACN,N,6-trimethyl-5-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pyridin-2-amine
SMILESCc1nc(N(C)C)ccc1N1CCc2c(-n3ccc(-c4nccs4)n3)ccnc21
InChIInChI=1S/C21H21N7S/c1-14-17(4-5-19(24-14)26(2)3)27-11-7-15-18(6-9-22-20(15)27)28-12-8-16(25-28)21-23-10-13-29-21/h4-6,8-10,12-13H,7,11H2,1-3H3
InChIKeySTZCQJALUQZDHH-UHFFFAOYSA-N
MW403.52 g/mol
LogP3.85
Rot. Bonds4

About N,N,6-trimethyl-5-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pyridin-2-amine

N,N,6-trimethyl-5-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pyridin-2-amine (PubChem CID 44589329) has the molecular formula C21H21N7S and a molecular weight of 403.52 g/mol. Its IUPAC name is N,N,6-trimethyl-5-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pyridin-2-amine.

Molecular Properties

Compound NameN,N,6-trimethyl-5-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pyridin-2-amine
PubChem CID44589329
Molecular FormulaC21H21N7S
Molecular Weight403.52 g/mol
Exact Mass403.16
IUPAC NameN,N,6-trimethyl-5-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pyridin-2-amine
SMILESCc1nc(N(C)C)ccc1N1CCc2c(-n3ccc(-c4nccs4)n3)ccnc21
InChIInChI=1S/C21H21N7S/c1-14-17(4-5-19(24-14)26(2)3)27-11-7-15-18(6-9-22-20(15)27)28-12-8-16(25-28)21-23-10-13-29-21/h4-6,8-10,12-13H,7,11H2,1-3H3
InChIKeySTZCQJALUQZDHH-UHFFFAOYSA-N
XLogP3.85
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N,N,6-trimethyl-5-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N,6-trimethyl-5-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pyridin-2-amine?
The IUPAC name of N,N,6-trimethyl-5-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pyridin-2-amine (CID 44589329) is N,N,6-trimethyl-5-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pyridin-2-amine.
What is the SMILES notation for N,N,6-trimethyl-5-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pyridin-2-amine?
The canonical SMILES for N,N,6-trimethyl-5-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pyridin-2-amine is Cc1nc(N(C)C)ccc1N1CCc2c(-n3ccc(-c4nccs4)n3)ccnc21.
What is the InChIKey of N,N,6-trimethyl-5-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pyridin-2-amine?
The InChIKey is STZCQJALUQZDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7S/c1-14-17(4-5-19(24-14)26(2)3)27-11-7-15-18(6-9-22-20(15)27)28-12-8-16(25-28)21-23-10-13-29-21/h4-6,8-10,12-13H,7,11H2,1-3H3.
What are the key properties of N,N,6-trimethyl-5-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pyridin-2-amine?
N,N,6-trimethyl-5-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pyridin-2-amine has a molecular weight of 403.52 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,6-trimethyl-5-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pyridin-2-amine is sourced from PubChem (CID 44589329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).