4-butyl-N-methyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine

C19H21N7 — CID 141339665

IUPAC4-butyl-N-methyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
SMILESCCCCc1cc(-c2c[nH]c3ncc(-c4cn[nH]c4)cc23)nc(NC)n1
InChIInChI=1S/C19H21N7/c1-3-4-5-14-7-17(26-19(20-2)25-14)16-11-22-18-15(16)6-12(8-21-18)13-9-23-24-10-13/h6-11H,3-5H2,1-2H3,(H,21,22)(H,23,24)(H,20,25,26)
InChIKeyGTYKEPJYQXEJJB-UHFFFAOYSA-N
MW347.43 g/mol
LogP3.79
Rot. Bonds6

About 4-butyl-N-methyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine

4-butyl-N-methyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 141339665) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is 4-butyl-N-methyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-butyl-N-methyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
PubChem CID141339665
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Name4-butyl-N-methyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
SMILESCCCCc1cc(-c2c[nH]c3ncc(-c4cn[nH]c4)cc23)nc(NC)n1
InChIInChI=1S/C19H21N7/c1-3-4-5-14-7-17(26-19(20-2)25-14)16-11-22-18-15(16)6-12(8-21-18)13-9-23-24-10-13/h6-11H,3-5H2,1-2H3,(H,21,22)(H,23,24)(H,20,25,26)
InChIKeyGTYKEPJYQXEJJB-UHFFFAOYSA-N
XLogP3.79
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-methyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-butyl-N-methyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine (CID 141339665) is 4-butyl-N-methyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-butyl-N-methyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-butyl-N-methyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine is CCCCc1cc(-c2c[nH]c3ncc(-c4cn[nH]c4)cc23)nc(NC)n1.
What is the InChIKey of 4-butyl-N-methyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is GTYKEPJYQXEJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7/c1-3-4-5-14-7-17(26-19(20-2)25-14)16-11-22-18-15(16)6-12(8-21-18)13-9-23-24-10-13/h6-11H,3-5H2,1-2H3,(H,21,22)(H,23,24)(H,20,25,26).
What are the key properties of 4-butyl-N-methyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
4-butyl-N-methyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 347.43 g/mol, XLogP of 3.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-methyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 141339665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).