N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-2,3-dihydro-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-amine

C23H20FN9 — CID 171803551

IUPACN-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-2,3-dihydro-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-amine
SMILESCc1cnc2[nH]nc(NCc3ccc(-c4ccnc5c4NC(c4cn[nH]c4)N5)cc3F)c2c1
InChIInChI=1S/C23H20FN9/c1-12-6-17-21(26-8-12)32-33-22(17)27-9-14-3-2-13(7-18(14)24)16-4-5-25-23-19(16)30-20(31-23)15-10-28-29-11-15/h2-8,10-11,20,30H,9H2,1H3,(H,25,31)(H,28,29)(H2,26,27,32,33)
InChIKeyQQEUVOGQKSCDGY-UHFFFAOYSA-N
MW441.47 g/mol
LogP4.34
Rot. Bonds5

About N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-2,3-dihydro-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-amine

N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-2,3-dihydro-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-amine (PubChem CID 171803551) has the molecular formula C23H20FN9 and a molecular weight of 441.47 g/mol. Its IUPAC name is N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-2,3-dihydro-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-2,3-dihydro-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-amine
PubChem CID171803551
Molecular FormulaC23H20FN9
Molecular Weight441.47 g/mol
Exact Mass441.18
IUPAC NameN-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-2,3-dihydro-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-amine
SMILESCc1cnc2[nH]nc(NCc3ccc(-c4ccnc5c4NC(c4cn[nH]c4)N5)cc3F)c2c1
InChIInChI=1S/C23H20FN9/c1-12-6-17-21(26-8-12)32-33-22(17)27-9-14-3-2-13(7-18(14)24)16-4-5-25-23-19(16)30-20(31-23)15-10-28-29-11-15/h2-8,10-11,20,30H,9H2,1H3,(H,25,31)(H,28,29)(H2,26,27,32,33)
InChIKeyQQEUVOGQKSCDGY-UHFFFAOYSA-N
XLogP4.34
TPSA119.23 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.47
LogP ≤ 54.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-2,3-dihydro-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-2,3-dihydro-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-amine?
The IUPAC name of N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-2,3-dihydro-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-amine (CID 171803551) is N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-2,3-dihydro-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-amine.
What is the SMILES notation for N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-2,3-dihydro-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-amine?
The canonical SMILES for N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-2,3-dihydro-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-amine is Cc1cnc2[nH]nc(NCc3ccc(-c4ccnc5c4NC(c4cn[nH]c4)N5)cc3F)c2c1.
What is the InChIKey of N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-2,3-dihydro-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-amine?
The InChIKey is QQEUVOGQKSCDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN9/c1-12-6-17-21(26-8-12)32-33-22(17)27-9-14-3-2-13(7-18(14)24)16-4-5-25-23-19(16)30-20(31-23)15-10-28-29-11-15/h2-8,10-11,20,30H,9H2,1H3,(H,25,31)(H,28,29)(H2,26,27,32,33).
What are the key properties of N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-2,3-dihydro-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-amine?
N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-2,3-dihydro-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-amine has a molecular weight of 441.47 g/mol, XLogP of 4.34, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-2,3-dihydro-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-amine is sourced from PubChem (CID 171803551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).