2-(7-chloro-1H-indazol-5-yl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-1H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide

C37H31Cl2N13O3 — CID 159407428

IUPAC2-(7-chloro-1H-indazol-5-yl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-1H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESNC(=O)c1c(-c2cc(Cl)c3[nH]ncc3c2)nn2c1CNCC2.[C-]#[N+]c1ccc(CC(=O)N2CCn3nc(-c4cc(Cl)c5[nH]ncc5c4)c(C(N)=O)c3C2)cc1
InChIInChI=1S/C23H18ClN7O2.C14H13ClN6O/c1-26-16-4-2-13(3-5-16)8-19(32)30-6-7-31-18(12-30)20(23(25)33)22(29-31)14-9-15-11-27-28-21(15)17(24)10-14;15-9-4-7(3-8-5-18-19-12(8)9)13-11(14(16)22)10-6-17-1-2-21(10)20-13/h2-5,9-11H,6-8,12H2,(H2,25,33)(H,27,28);3-5,17H,1-2,6H2,(H2,16,22)(H,18,19)
InChIKeyLODFYRJBRQMDDM-UHFFFAOYSA-N
MW776.65 g/mol
LogP4.60
Rot. Bonds6

About 2-(7-chloro-1H-indazol-5-yl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-1H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide

2-(7-chloro-1H-indazol-5-yl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-1H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 159407428) has the molecular formula C37H31Cl2N13O3 and a molecular weight of 776.65 g/mol. Its IUPAC name is 2-(7-chloro-1H-indazol-5-yl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-1H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name2-(7-chloro-1H-indazol-5-yl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-1H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID159407428
Molecular FormulaC37H31Cl2N13O3
Molecular Weight776.65 g/mol
Exact Mass775.20
IUPAC Name2-(7-chloro-1H-indazol-5-yl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-1H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESNC(=O)c1c(-c2cc(Cl)c3[nH]ncc3c2)nn2c1CNCC2.[C-]#[N+]c1ccc(CC(=O)N2CCn3nc(-c4cc(Cl)c5[nH]ncc5c4)c(C(N)=O)c3C2)cc1
InChIInChI=1S/C23H18ClN7O2.C14H13ClN6O/c1-26-16-4-2-13(3-5-16)8-19(32)30-6-7-31-18(12-30)20(23(25)33)22(29-31)14-9-15-11-27-28-21(15)17(24)10-14;15-9-4-7(3-8-5-18-19-12(8)9)13-11(14(16)22)10-6-17-1-2-21(10)20-13/h2-5,9-11H,6-8,12H2,(H2,25,33)(H,27,28);3-5,17H,1-2,6H2,(H2,16,22)(H,18,19)
InChIKeyLODFYRJBRQMDDM-UHFFFAOYSA-N
XLogP4.60
TPSA215.88 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500776.65
LogP ≤ 54.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-(7-chloro-1H-indazol-5-yl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-1H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide with MolForge

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Related Compounds

5-((1H-pyrazol-4-yl)ethynyl)-1-(2-((2S,4R)-2-(3-chloro-2-fluorobenzylcarbamoyl)-4-fluoropyrrolidin-1-yl)-2-oxoethyl)-1H-indazole-3-carboxamide
CID 118322962
US9598423, Example 316
CID 137554163
US9796741, cmp No. 159
CID 118323628
US10023557, Example 82
CID 118665290
US10023557, Example 60
CID 118665317
US10023557, Example 309
CID 124183343
US9598423, Example 317
CID 137554164
US9598423, Example 318
CID 137554165
US9598423, Example 319
CID 137554166
US9598423, Example 321
CID 137554168
1-[2-[(2S,4R)-2-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 118323557
1-[2-[2-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 118334347

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1H-indazol-5-yl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-1H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of 2-(7-chloro-1H-indazol-5-yl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-1H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide (CID 159407428) is 2-(7-chloro-1H-indazol-5-yl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-1H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for 2-(7-chloro-1H-indazol-5-yl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-1H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for 2-(7-chloro-1H-indazol-5-yl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-1H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide is NC(=O)c1c(-c2cc(Cl)c3[nH]ncc3c2)nn2c1CNCC2.[C-]#[N+]c1ccc(CC(=O)N2CCn3nc(-c4cc(Cl)c5[nH]ncc5c4)c(C(N)=O)c3C2)cc1.
What is the InChIKey of 2-(7-chloro-1H-indazol-5-yl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-1H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is LODFYRJBRQMDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN7O2.C14H13ClN6O/c1-26-16-4-2-13(3-5-16)8-19(32)30-6-7-31-18(12-30)20(23(25)33)22(29-31)14-9-15-11-27-28-21(15)17(24)10-14;15-9-4-7(3-8-5-18-19-12(8)9)13-11(14(16)22)10-6-17-1-2-21(10)20-13/h2-5,9-11H,6-8,12H2,(H2,25,33)(H,27,28);3-5,17H,1-2,6H2,(H2,16,22)(H,18,19).
What are the key properties of 2-(7-chloro-1H-indazol-5-yl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-1H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide?
2-(7-chloro-1H-indazol-5-yl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-1H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 776.65 g/mol, XLogP of 4.60, 6 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1H-indazol-5-yl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-1H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 159407428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).