5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyridin-2-amine;N-cyclohexyl-2-methoxyacetamide

C21H30ClN5O2 — CID 153334302

IUPAC5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyridin-2-amine;N-cyclohexyl-2-methoxyacetamide
SMILESCOCC(=O)NC1CCCCC1.Nc1cc(-c2cnn3c2CCCC3)c(Cl)cn1
InChIInChI=1S/C12H13ClN4.C9H17NO2/c13-10-7-15-12(14)5-8(10)9-6-16-17-4-2-1-3-11(9)17;1-12-7-9(11)10-8-5-3-2-4-6-8/h5-7H,1-4H2,(H2,14,15);8H,2-7H2,1H3,(H,10,11)
InChIKeyRFQYNTOQGHYNMN-UHFFFAOYSA-N
MW419.96 g/mol
LogP3.60
Rot. Bonds4

About 5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyridin-2-amine;N-cyclohexyl-2-methoxyacetamide

5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyridin-2-amine;N-cyclohexyl-2-methoxyacetamide (PubChem CID 153334302) has the molecular formula C21H30ClN5O2 and a molecular weight of 419.96 g/mol. Its IUPAC name is 5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyridin-2-amine;N-cyclohexyl-2-methoxyacetamide.

Molecular Properties

Compound Name5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyridin-2-amine;N-cyclohexyl-2-methoxyacetamide
PubChem CID153334302
Molecular FormulaC21H30ClN5O2
Molecular Weight419.96 g/mol
Exact Mass419.21
IUPAC Name5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyridin-2-amine;N-cyclohexyl-2-methoxyacetamide
SMILESCOCC(=O)NC1CCCCC1.Nc1cc(-c2cnn3c2CCCC3)c(Cl)cn1
InChIInChI=1S/C12H13ClN4.C9H17NO2/c13-10-7-15-12(14)5-8(10)9-6-16-17-4-2-1-3-11(9)17;1-12-7-9(11)10-8-5-3-2-4-6-8/h5-7H,1-4H2,(H2,14,15);8H,2-7H2,1H3,(H,10,11)
InChIKeyRFQYNTOQGHYNMN-UHFFFAOYSA-N
XLogP3.60
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.96
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyridin-2-amine;N-cyclohexyl-2-methoxyacetamide?
The IUPAC name of 5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyridin-2-amine;N-cyclohexyl-2-methoxyacetamide (CID 153334302) is 5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyridin-2-amine;N-cyclohexyl-2-methoxyacetamide.
What is the SMILES notation for 5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyridin-2-amine;N-cyclohexyl-2-methoxyacetamide?
The canonical SMILES for 5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyridin-2-amine;N-cyclohexyl-2-methoxyacetamide is COCC(=O)NC1CCCCC1.Nc1cc(-c2cnn3c2CCCC3)c(Cl)cn1.
What is the InChIKey of 5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyridin-2-amine;N-cyclohexyl-2-methoxyacetamide?
The InChIKey is RFQYNTOQGHYNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4.C9H17NO2/c13-10-7-15-12(14)5-8(10)9-6-16-17-4-2-1-3-11(9)17;1-12-7-9(11)10-8-5-3-2-4-6-8/h5-7H,1-4H2,(H2,14,15);8H,2-7H2,1H3,(H,10,11).
What are the key properties of 5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyridin-2-amine;N-cyclohexyl-2-methoxyacetamide?
5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyridin-2-amine;N-cyclohexyl-2-methoxyacetamide has a molecular weight of 419.96 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyridin-2-amine;N-cyclohexyl-2-methoxyacetamide is sourced from PubChem (CID 153334302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).