N-[1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-yl]-5-fluoropyridine-2-carboxamide

C22H19FN8O — CID 147243589

IUPACN-[1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-yl]-5-fluoropyridine-2-carboxamide
SMILESCC(Cn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1)NC(=O)c1ccc(F)cn1
InChIInChI=1S/C22H19FN8O/c1-12(27-22(32)18-5-3-14(23)9-25-18)10-31-11-16-20(30-31)15-4-2-13(17-6-7-26-29-17)8-19(15)28-21(16)24/h2-9,11-12H,10H2,1H3,(H2,24,28)(H,26,29)(H,27,32)
InChIKeyCLGHSAKUBJDTJQ-UHFFFAOYSA-N
MW430.45 g/mol
LogP2.91
Rot. Bonds5

About N-[1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-yl]-5-fluoropyridine-2-carboxamide

N-[1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-yl]-5-fluoropyridine-2-carboxamide (PubChem CID 147243589) has the molecular formula C22H19FN8O and a molecular weight of 430.45 g/mol. Its IUPAC name is N-[1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-yl]-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-yl]-5-fluoropyridine-2-carboxamide
PubChem CID147243589
Molecular FormulaC22H19FN8O
Molecular Weight430.45 g/mol
Exact Mass430.17
IUPAC NameN-[1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-yl]-5-fluoropyridine-2-carboxamide
SMILESCC(Cn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1)NC(=O)c1ccc(F)cn1
InChIInChI=1S/C22H19FN8O/c1-12(27-22(32)18-5-3-14(23)9-25-18)10-31-11-16-20(30-31)15-4-2-13(17-6-7-26-29-17)8-19(15)28-21(16)24/h2-9,11-12H,10H2,1H3,(H2,24,28)(H,26,29)(H,27,32)
InChIKeyCLGHSAKUBJDTJQ-UHFFFAOYSA-N
XLogP2.91
TPSA127.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.45
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-Fluoro-5-[[3-[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 9934283
Rock2-IN-6
CID 137387245
N,1-dimethyl-5-[[4-[3-methyl-4-[[(3R)-piperidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide
CID 155925936
Hymenialdisine, 28t
CID 135454807
1-[[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]amino]-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
CID 42635854
1-[[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]amino]-7-(1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
CID 42635855
1-[[(1S)-1-cyclopropylethyl]amino]-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
CID 42635944
2-fluoro-N-methyl-4-[3-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]benzamide
CID 137644947
4-[3-[1-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]-2-fluoro-N-methylbenzamide
CID 137650862
2-fluoro-4-[3-[1-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]-N-methylbenzamide
CID 137652748
N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]-7-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 134156672
5-[[4-[4-[(dimethylamino)methyl]-3-fluoropyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide
CID 162653141

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-yl]-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-[1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-yl]-5-fluoropyridine-2-carboxamide (CID 147243589) is N-[1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-yl]-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-yl]-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-yl]-5-fluoropyridine-2-carboxamide is CC(Cn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1)NC(=O)c1ccc(F)cn1.
What is the InChIKey of N-[1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-yl]-5-fluoropyridine-2-carboxamide?
The InChIKey is CLGHSAKUBJDTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN8O/c1-12(27-22(32)18-5-3-14(23)9-25-18)10-31-11-16-20(30-31)15-4-2-13(17-6-7-26-29-17)8-19(15)28-21(16)24/h2-9,11-12H,10H2,1H3,(H2,24,28)(H,26,29)(H,27,32).
What are the key properties of N-[1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-yl]-5-fluoropyridine-2-carboxamide?
N-[1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-yl]-5-fluoropyridine-2-carboxamide has a molecular weight of 430.45 g/mol, XLogP of 2.91, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-yl]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 147243589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).