6-ethyl-N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C22H22N8O2 — CID 53329171

IUPAC6-ethyl-N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCCc1ccc(Nc2cncnc2)c(C(=O)Nc2cc(-c3ccccn3)nn2CCO)n1
InChIInChI=1S/C22H22N8O2/c1-2-15-6-7-18(26-16-12-23-14-24-13-16)21(27-15)22(32)28-20-11-19(29-30(20)9-10-31)17-5-3-4-8-25-17/h3-8,11-14,26,31H,2,9-10H2,1H3,(H,28,32)
InChIKeyWWCIYWZWNMUYBW-UHFFFAOYSA-N
MW430.47 g/mol
LogP2.68
Rot. Bonds8

About 6-ethyl-N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

6-ethyl-N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 53329171) has the molecular formula C22H22N8O2 and a molecular weight of 430.47 g/mol. Its IUPAC name is 6-ethyl-N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-ethyl-N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID53329171
Molecular FormulaC22H22N8O2
Molecular Weight430.47 g/mol
Exact Mass430.19
IUPAC Name6-ethyl-N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCCc1ccc(Nc2cncnc2)c(C(=O)Nc2cc(-c3ccccn3)nn2CCO)n1
InChIInChI=1S/C22H22N8O2/c1-2-15-6-7-18(26-16-12-23-14-24-13-16)21(27-15)22(32)28-20-11-19(29-30(20)9-10-31)17-5-3-4-8-25-17/h3-8,11-14,26,31H,2,9-10H2,1H3,(H,28,32)
InChIKeyWWCIYWZWNMUYBW-UHFFFAOYSA-N
XLogP2.68
TPSA130.74 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-ethyl-N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 53329171) is 6-ethyl-N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-ethyl-N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-ethyl-N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is CCc1ccc(Nc2cncnc2)c(C(=O)Nc2cc(-c3ccccn3)nn2CCO)n1.
What is the InChIKey of 6-ethyl-N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is WWCIYWZWNMUYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O2/c1-2-15-6-7-18(26-16-12-23-14-24-13-16)21(27-15)22(32)28-20-11-19(29-30(20)9-10-31)17-5-3-4-8-25-17/h3-8,11-14,26,31H,2,9-10H2,1H3,(H,28,32).
What are the key properties of 6-ethyl-N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-ethyl-N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 2.68, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 53329171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).