5-N-(3-chloro-4-fluorophenyl)-3-N-methyl-3-N-(1-pyrimidin-2-ylcyclopropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

C22H21ClFN7O2 — CID 156772469

IUPAC5-N-(3-chloro-4-fluorophenyl)-3-N-methyl-3-N-(1-pyrimidin-2-ylcyclopropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCN(C(=O)c1cnn2c1CN(C(=O)Nc1ccc(F)c(Cl)c1)CC2)C1(c2ncccn2)CC1
InChIInChI=1S/C22H21ClFN7O2/c1-29(22(5-6-22)20-25-7-2-8-26-20)19(32)15-12-27-31-10-9-30(13-18(15)31)21(33)28-14-3-4-17(24)16(23)11-14/h2-4,7-8,11-12H,5-6,9-10,13H2,1H3,(H,28,33)
InChIKeyHKVLSMQNVIFZCV-UHFFFAOYSA-N
MW469.91 g/mol
LogP3.27
Rot. Bonds4

About 5-N-(3-chloro-4-fluorophenyl)-3-N-methyl-3-N-(1-pyrimidin-2-ylcyclopropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

5-N-(3-chloro-4-fluorophenyl)-3-N-methyl-3-N-(1-pyrimidin-2-ylcyclopropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 156772469) has the molecular formula C22H21ClFN7O2 and a molecular weight of 469.91 g/mol. Its IUPAC name is 5-N-(3-chloro-4-fluorophenyl)-3-N-methyl-3-N-(1-pyrimidin-2-ylcyclopropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(3-chloro-4-fluorophenyl)-3-N-methyl-3-N-(1-pyrimidin-2-ylcyclopropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID156772469
Molecular FormulaC22H21ClFN7O2
Molecular Weight469.91 g/mol
Exact Mass469.14
IUPAC Name5-N-(3-chloro-4-fluorophenyl)-3-N-methyl-3-N-(1-pyrimidin-2-ylcyclopropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCN(C(=O)c1cnn2c1CN(C(=O)Nc1ccc(F)c(Cl)c1)CC2)C1(c2ncccn2)CC1
InChIInChI=1S/C22H21ClFN7O2/c1-29(22(5-6-22)20-25-7-2-8-26-20)19(32)15-12-27-31-10-9-30(13-18(15)31)21(33)28-14-3-4-17(24)16(23)11-14/h2-4,7-8,11-12H,5-6,9-10,13H2,1H3,(H,28,33)
InChIKeyHKVLSMQNVIFZCV-UHFFFAOYSA-N
XLogP3.27
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.91
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-(3-chloro-4-fluorophenyl)-3-N-methyl-3-N-(1-pyridin-4-ylcyclopropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 156772475
6-[1-[[[5-[(3-chloro-4-fluorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-hydroxymethyl]amino]cyclopropyl]pyridine-3-carboxylic acid
CID 155262212
N-(3-chloro-4-fluorophenyl)-3-(3-cyanopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121483810
5-(4-chloro-5-fluoro-1H-indole-2-carbonyl)-N-[1-(4-formylphenyl)cyclopropyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 155259952
5-N-(3,4-difluorophenyl)-3-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 162616186
N-(3-chlorophenyl)-3-(2,3-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121483950
5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-N-methyl-N-[1-(4-methylphenyl)cyclopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 155260056
4-[1-[[5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]-methylamino]cyclopropyl]benzoic acid
CID 155260063
N-(3,4-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484269
3-(4-chloro-2-pyridinyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121483951
N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 108990187
(3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 140894275

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-chloro-4-fluorophenyl)-3-N-methyl-3-N-(1-pyrimidin-2-ylcyclopropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 5-N-(3-chloro-4-fluorophenyl)-3-N-methyl-3-N-(1-pyrimidin-2-ylcyclopropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 156772469) is 5-N-(3-chloro-4-fluorophenyl)-3-N-methyl-3-N-(1-pyrimidin-2-ylcyclopropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(3-chloro-4-fluorophenyl)-3-N-methyl-3-N-(1-pyrimidin-2-ylcyclopropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(3-chloro-4-fluorophenyl)-3-N-methyl-3-N-(1-pyrimidin-2-ylcyclopropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is CN(C(=O)c1cnn2c1CN(C(=O)Nc1ccc(F)c(Cl)c1)CC2)C1(c2ncccn2)CC1.
What is the InChIKey of 5-N-(3-chloro-4-fluorophenyl)-3-N-methyl-3-N-(1-pyrimidin-2-ylcyclopropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is HKVLSMQNVIFZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN7O2/c1-29(22(5-6-22)20-25-7-2-8-26-20)19(32)15-12-27-31-10-9-30(13-18(15)31)21(33)28-14-3-4-17(24)16(23)11-14/h2-4,7-8,11-12H,5-6,9-10,13H2,1H3,(H,28,33).
What are the key properties of 5-N-(3-chloro-4-fluorophenyl)-3-N-methyl-3-N-(1-pyrimidin-2-ylcyclopropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
5-N-(3-chloro-4-fluorophenyl)-3-N-methyl-3-N-(1-pyrimidin-2-ylcyclopropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 469.91 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-chloro-4-fluorophenyl)-3-N-methyl-3-N-(1-pyrimidin-2-ylcyclopropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 156772469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).