[2-fluoro-4-[5-imidazo[1,2-a]pyrazin-8-yl-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea

C30H31FN8O2 — CID 139296536

IUPAC[2-fluoro-4-[5-imidazo[1,2-a]pyrazin-8-yl-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea
SMILESCc1cccc(OCC(C)C)c1-n1nc2c(c1-c1ccc(NC(N)=O)c(F)c1)CN(c1nccn3ccnc13)CC2
InChIInChI=1S/C30H31FN8O2/c1-18(2)17-41-25-6-4-5-19(3)26(25)39-27(20-7-8-24(22(31)15-20)35-30(32)40)21-16-38(12-9-23(21)36-39)29-28-33-10-13-37(28)14-11-34-29/h4-8,10-11,13-15,18H,9,12,16-17H2,1-3H3,(H3,32,35,40)
InChIKeyIHGSAABMWKWBCD-UHFFFAOYSA-N
MW554.63 g/mol
LogP5.12
Rot. Bonds7

About [2-fluoro-4-[5-imidazo[1,2-a]pyrazin-8-yl-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea

[2-fluoro-4-[5-imidazo[1,2-a]pyrazin-8-yl-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea (PubChem CID 139296536) has the molecular formula C30H31FN8O2 and a molecular weight of 554.63 g/mol. Its IUPAC name is [2-fluoro-4-[5-imidazo[1,2-a]pyrazin-8-yl-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea.

Molecular Properties

Compound Name[2-fluoro-4-[5-imidazo[1,2-a]pyrazin-8-yl-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea
PubChem CID139296536
Molecular FormulaC30H31FN8O2
Molecular Weight554.63 g/mol
Exact Mass554.26
IUPAC Name[2-fluoro-4-[5-imidazo[1,2-a]pyrazin-8-yl-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea
SMILESCc1cccc(OCC(C)C)c1-n1nc2c(c1-c1ccc(NC(N)=O)c(F)c1)CN(c1nccn3ccnc13)CC2
InChIInChI=1S/C30H31FN8O2/c1-18(2)17-41-25-6-4-5-19(3)26(25)39-27(20-7-8-24(22(31)15-20)35-30(32)40)21-16-38(12-9-23(21)36-39)29-28-33-10-13-37(28)14-11-34-29/h4-8,10-11,13-15,18H,9,12,16-17H2,1-3H3,(H3,32,35,40)
InChIKeyIHGSAABMWKWBCD-UHFFFAOYSA-N
XLogP5.12
TPSA115.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.63
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [2-fluoro-4-[5-imidazo[1,2-a]pyrazin-8-yl-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea with MolForge

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Related Compounds

Bos172722
CID 73386890
N4-methyl-N2-{2-methyl-1-[2-({3-methyl-3H-imidazo[4,5-b]pyridin-6-yl}oxy)phenyl]-1H-indol-6-yl}pyrimidine-2,4-diamine
CID 121231410
Methyl substituted pyrazole, 27
CID 23648674
benzyl N-(4-{4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)carbamate
CID 6539957
Pyrazolo[3,4-d]pyrimidine 7
CID 6539958
2-(7-(2-Methoxyethoxy)imidazo[1,2-a]pyridin-3-yl)-8-(pyrrolidin-3-ylmethoxy)quinoline
CID 25098432
6-(1H-indazol-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473640
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[(1S,4R)-4-[[3-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 89612238
US10399974, Example 56
CID 118348985
US10399974, Example 7
CID 118349055
tert-butyl N-[4-[4-amino-1-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]carbamate
CID 127049453
US9765058, Example 2-2-10
CID 86580572

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-[5-imidazo[1,2-a]pyrazin-8-yl-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea?
The IUPAC name of [2-fluoro-4-[5-imidazo[1,2-a]pyrazin-8-yl-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea (CID 139296536) is [2-fluoro-4-[5-imidazo[1,2-a]pyrazin-8-yl-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea.
What is the SMILES notation for [2-fluoro-4-[5-imidazo[1,2-a]pyrazin-8-yl-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea?
The canonical SMILES for [2-fluoro-4-[5-imidazo[1,2-a]pyrazin-8-yl-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea is Cc1cccc(OCC(C)C)c1-n1nc2c(c1-c1ccc(NC(N)=O)c(F)c1)CN(c1nccn3ccnc13)CC2.
What is the InChIKey of [2-fluoro-4-[5-imidazo[1,2-a]pyrazin-8-yl-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea?
The InChIKey is IHGSAABMWKWBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN8O2/c1-18(2)17-41-25-6-4-5-19(3)26(25)39-27(20-7-8-24(22(31)15-20)35-30(32)40)21-16-38(12-9-23(21)36-39)29-28-33-10-13-37(28)14-11-34-29/h4-8,10-11,13-15,18H,9,12,16-17H2,1-3H3,(H3,32,35,40).
What are the key properties of [2-fluoro-4-[5-imidazo[1,2-a]pyrazin-8-yl-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea?
[2-fluoro-4-[5-imidazo[1,2-a]pyrazin-8-yl-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea has a molecular weight of 554.63 g/mol, XLogP of 5.12, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-[5-imidazo[1,2-a]pyrazin-8-yl-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea is sourced from PubChem (CID 139296536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).