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

C22H19FN8O — CID 147457510

IUPACN-[1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-yl]-4-fluoropyridine-2-carboxamide
SMILESCC(Cn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1)NC(=O)c1cc(F)ccn1
InChIInChI=1S/C22H19FN8O/c1-12(27-22(32)19-9-14(23)4-6-25-19)10-31-11-16-20(30-31)15-3-2-13(17-5-7-26-29-17)8-18(15)28-21(16)24/h2-9,11-12H,10H2,1H3,(H2,24,28)(H,26,29)(H,27,32)
InChIKeyDZGXVOFUBUTZRM-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]-4-fluoropyridine-2-carboxamide

N-[1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-yl]-4-fluoropyridine-2-carboxamide (PubChem CID 147457510) 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]-4-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]-4-fluoropyridine-2-carboxamide
PubChem CID147457510
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]-4-fluoropyridine-2-carboxamide
SMILESCC(Cn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1)NC(=O)c1cc(F)ccn1
InChIInChI=1S/C22H19FN8O/c1-12(27-22(32)19-9-14(23)4-6-25-19)10-31-11-16-20(30-31)15-3-2-13(17-5-7-26-29-17)8-18(15)28-21(16)24/h2-9,11-12H,10H2,1H3,(H2,24,28)(H,26,29)(H,27,32)
InChIKeyDZGXVOFUBUTZRM-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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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]-4-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]-4-fluoropyridine-2-carboxamide (CID 147457510) is N-[1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-yl]-4-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]-4-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]-4-fluoropyridine-2-carboxamide is CC(Cn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1)NC(=O)c1cc(F)ccn1.
What is the InChIKey of N-[1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-yl]-4-fluoropyridine-2-carboxamide?
The InChIKey is DZGXVOFUBUTZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN8O/c1-12(27-22(32)19-9-14(23)4-6-25-19)10-31-11-16-20(30-31)15-3-2-13(17-5-7-26-29-17)8-18(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]-4-fluoropyridine-2-carboxamide?
N-[1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-yl]-4-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]-4-fluoropyridine-2-carboxamide is sourced from PubChem (CID 147457510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).