2-chloro-N-(1,5-dimethylpyrazol-4-yl)sulfanyl-6-[5-[(2,2,3,3-tetramethylcyclopropyl)methoxy]-1,5-dihydropyrazol-2-yl]pyridine-3-carboxamide

C22H29ClN6O2S — CID 134606208

IUPAC2-chloro-N-(1,5-dimethylpyrazol-4-yl)sulfanyl-6-[5-[(2,2,3,3-tetramethylcyclopropyl)methoxy]-1,5-dihydropyrazol-2-yl]pyridine-3-carboxamide
SMILESCc1c(SNC(=O)c2ccc(N3C=CC(OCC4C(C)(C)C4(C)C)N3)nc2Cl)cnn1C
InChIInChI=1S/C22H29ClN6O2S/c1-13-15(11-24-28(13)6)32-27-20(30)14-7-8-17(25-19(14)23)29-10-9-18(26-29)31-12-16-21(2,3)22(16,4)5/h7-11,16,18,26H,12H2,1-6H3,(H,27,30)
InChIKeyGIMZIZTZKLIYAT-UHFFFAOYSA-N
MW477.03 g/mol
LogP4.08
Rot. Bonds7

About 2-chloro-N-(1,5-dimethylpyrazol-4-yl)sulfanyl-6-[5-[(2,2,3,3-tetramethylcyclopropyl)methoxy]-1,5-dihydropyrazol-2-yl]pyridine-3-carboxamide

2-chloro-N-(1,5-dimethylpyrazol-4-yl)sulfanyl-6-[5-[(2,2,3,3-tetramethylcyclopropyl)methoxy]-1,5-dihydropyrazol-2-yl]pyridine-3-carboxamide (PubChem CID 134606208) has the molecular formula C22H29ClN6O2S and a molecular weight of 477.03 g/mol. Its IUPAC name is 2-chloro-N-(1,5-dimethylpyrazol-4-yl)sulfanyl-6-[5-[(2,2,3,3-tetramethylcyclopropyl)methoxy]-1,5-dihydropyrazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(1,5-dimethylpyrazol-4-yl)sulfanyl-6-[5-[(2,2,3,3-tetramethylcyclopropyl)methoxy]-1,5-dihydropyrazol-2-yl]pyridine-3-carboxamide
PubChem CID134606208
Molecular FormulaC22H29ClN6O2S
Molecular Weight477.03 g/mol
Exact Mass476.18
IUPAC Name2-chloro-N-(1,5-dimethylpyrazol-4-yl)sulfanyl-6-[5-[(2,2,3,3-tetramethylcyclopropyl)methoxy]-1,5-dihydropyrazol-2-yl]pyridine-3-carboxamide
SMILESCc1c(SNC(=O)c2ccc(N3C=CC(OCC4C(C)(C)C4(C)C)N3)nc2Cl)cnn1C
InChIInChI=1S/C22H29ClN6O2S/c1-13-15(11-24-28(13)6)32-27-20(30)14-7-8-17(25-19(14)23)29-10-9-18(26-29)31-12-16-21(2,3)22(16,4)5/h7-11,16,18,26H,12H2,1-6H3,(H,27,30)
InChIKeyGIMZIZTZKLIYAT-UHFFFAOYSA-N
XLogP4.08
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.03
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,5-dimethylpyrazol-4-yl)sulfanyl-6-[5-[(2,2,3,3-tetramethylcyclopropyl)methoxy]-1,5-dihydropyrazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(1,5-dimethylpyrazol-4-yl)sulfanyl-6-[5-[(2,2,3,3-tetramethylcyclopropyl)methoxy]-1,5-dihydropyrazol-2-yl]pyridine-3-carboxamide (CID 134606208) is 2-chloro-N-(1,5-dimethylpyrazol-4-yl)sulfanyl-6-[5-[(2,2,3,3-tetramethylcyclopropyl)methoxy]-1,5-dihydropyrazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(1,5-dimethylpyrazol-4-yl)sulfanyl-6-[5-[(2,2,3,3-tetramethylcyclopropyl)methoxy]-1,5-dihydropyrazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(1,5-dimethylpyrazol-4-yl)sulfanyl-6-[5-[(2,2,3,3-tetramethylcyclopropyl)methoxy]-1,5-dihydropyrazol-2-yl]pyridine-3-carboxamide is Cc1c(SNC(=O)c2ccc(N3C=CC(OCC4C(C)(C)C4(C)C)N3)nc2Cl)cnn1C.
What is the InChIKey of 2-chloro-N-(1,5-dimethylpyrazol-4-yl)sulfanyl-6-[5-[(2,2,3,3-tetramethylcyclopropyl)methoxy]-1,5-dihydropyrazol-2-yl]pyridine-3-carboxamide?
The InChIKey is GIMZIZTZKLIYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN6O2S/c1-13-15(11-24-28(13)6)32-27-20(30)14-7-8-17(25-19(14)23)29-10-9-18(26-29)31-12-16-21(2,3)22(16,4)5/h7-11,16,18,26H,12H2,1-6H3,(H,27,30).
What are the key properties of 2-chloro-N-(1,5-dimethylpyrazol-4-yl)sulfanyl-6-[5-[(2,2,3,3-tetramethylcyclopropyl)methoxy]-1,5-dihydropyrazol-2-yl]pyridine-3-carboxamide?
2-chloro-N-(1,5-dimethylpyrazol-4-yl)sulfanyl-6-[5-[(2,2,3,3-tetramethylcyclopropyl)methoxy]-1,5-dihydropyrazol-2-yl]pyridine-3-carboxamide has a molecular weight of 477.03 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,5-dimethylpyrazol-4-yl)sulfanyl-6-[5-[(2,2,3,3-tetramethylcyclopropyl)methoxy]-1,5-dihydropyrazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 134606208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).