5-(5-fluoro-3-pyridinyl)-3-methyl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

C21H18FN7 — CID 140944634

IUPAC5-(5-fluoro-3-pyridinyl)-3-methyl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cnn2c(NCCc3c[nH]c4cccnc34)cc(-c3cncc(F)c3)nc12
InChIInChI=1S/C21H18FN7/c1-13-9-27-29-19(8-18(28-21(13)29)15-7-16(22)12-23-10-15)24-6-4-14-11-26-17-3-2-5-25-20(14)17/h2-3,5,7-12,24,26H,4,6H2,1H3
InChIKeyVTUMEOGOUBFIJQ-UHFFFAOYSA-N
MW387.42 g/mol
LogP3.77
Rot. Bonds5

About 5-(5-fluoro-3-pyridinyl)-3-methyl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

5-(5-fluoro-3-pyridinyl)-3-methyl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 140944634) has the molecular formula C21H18FN7 and a molecular weight of 387.42 g/mol. Its IUPAC name is 5-(5-fluoro-3-pyridinyl)-3-methyl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(5-fluoro-3-pyridinyl)-3-methyl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID140944634
Molecular FormulaC21H18FN7
Molecular Weight387.42 g/mol
Exact Mass387.16
IUPAC Name5-(5-fluoro-3-pyridinyl)-3-methyl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cnn2c(NCCc3c[nH]c4cccnc34)cc(-c3cncc(F)c3)nc12
InChIInChI=1S/C21H18FN7/c1-13-9-27-29-19(8-18(28-21(13)29)15-7-16(22)12-23-10-15)24-6-4-14-11-26-17-3-2-5-25-20(14)17/h2-3,5,7-12,24,26H,4,6H2,1H3
InChIKeyVTUMEOGOUBFIJQ-UHFFFAOYSA-N
XLogP3.77
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-3-pyridinyl)-3-methyl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(5-fluoro-3-pyridinyl)-3-methyl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 140944634) is 5-(5-fluoro-3-pyridinyl)-3-methyl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(5-fluoro-3-pyridinyl)-3-methyl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(5-fluoro-3-pyridinyl)-3-methyl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cnn2c(NCCc3c[nH]c4cccnc34)cc(-c3cncc(F)c3)nc12.
What is the InChIKey of 5-(5-fluoro-3-pyridinyl)-3-methyl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is VTUMEOGOUBFIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN7/c1-13-9-27-29-19(8-18(28-21(13)29)15-7-16(22)12-23-10-15)24-6-4-14-11-26-17-3-2-5-25-20(14)17/h2-3,5,7-12,24,26H,4,6H2,1H3.
What are the key properties of 5-(5-fluoro-3-pyridinyl)-3-methyl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-(5-fluoro-3-pyridinyl)-3-methyl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 387.42 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-3-pyridinyl)-3-methyl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 140944634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).