N-[7-(methylamino)-5-[1-(oxolan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide

C21H23N7O2 — CID 159212128

IUPACN-[7-(methylamino)-5-[1-(oxolan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide
SMILESCCC(=O)Nc1cnn2c(NC)cc(-c3cn(C4CCOC4)c4ncccc34)nc12
InChIInChI=1S/C21H23N7O2/c1-3-19(29)25-17-10-24-28-18(22-2)9-16(26-21(17)28)15-11-27(13-6-8-30-12-13)20-14(15)5-4-7-23-20/h4-5,7,9-11,13,22H,3,6,8,12H2,1-2H3,(H,25,29)
InChIKeyKQPUNWVQNDRIMX-UHFFFAOYSA-N
MW405.46 g/mol
LogP3.10
Rot. Bonds5

About N-[7-(methylamino)-5-[1-(oxolan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide

N-[7-(methylamino)-5-[1-(oxolan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide (PubChem CID 159212128) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[7-(methylamino)-5-[1-(oxolan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[7-(methylamino)-5-[1-(oxolan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide
PubChem CID159212128
Molecular FormulaC21H23N7O2
Molecular Weight405.46 g/mol
Exact Mass405.19
IUPAC NameN-[7-(methylamino)-5-[1-(oxolan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide
SMILESCCC(=O)Nc1cnn2c(NC)cc(-c3cn(C4CCOC4)c4ncccc34)nc12
InChIInChI=1S/C21H23N7O2/c1-3-19(29)25-17-10-24-28-18(22-2)9-16(26-21(17)28)15-11-27(13-6-8-30-12-13)20-14(15)5-4-7-23-20/h4-5,7,9-11,13,22H,3,6,8,12H2,1-2H3,(H,25,29)
InChIKeyKQPUNWVQNDRIMX-UHFFFAOYSA-N
XLogP3.10
TPSA98.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[7-(methylamino)-5-[1-(oxolan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide?
The IUPAC name of N-[7-(methylamino)-5-[1-(oxolan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide (CID 159212128) is N-[7-(methylamino)-5-[1-(oxolan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide.
What is the SMILES notation for N-[7-(methylamino)-5-[1-(oxolan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide?
The canonical SMILES for N-[7-(methylamino)-5-[1-(oxolan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide is CCC(=O)Nc1cnn2c(NC)cc(-c3cn(C4CCOC4)c4ncccc34)nc12.
What is the InChIKey of N-[7-(methylamino)-5-[1-(oxolan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide?
The InChIKey is KQPUNWVQNDRIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2/c1-3-19(29)25-17-10-24-28-18(22-2)9-16(26-21(17)28)15-11-27(13-6-8-30-12-13)20-14(15)5-4-7-23-20/h4-5,7,9-11,13,22H,3,6,8,12H2,1-2H3,(H,25,29).
What are the key properties of N-[7-(methylamino)-5-[1-(oxolan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide?
N-[7-(methylamino)-5-[1-(oxolan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide has a molecular weight of 405.46 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(methylamino)-5-[1-(oxolan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide is sourced from PubChem (CID 159212128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).