5-amino-N-[5-(4-amino-5-methoxyazepan-1-yl)-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide

C20H26N8O2S — CID 74983191

IUPAC5-amino-N-[5-(4-amino-5-methoxyazepan-1-yl)-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
SMILESCOC1CCN(c2c(NC(=O)c3nc(-c4ccccn4)sc3N)cnn2C)CCC1N
InChIInChI=1S/C20H26N8O2S/c1-27-20(28-9-6-12(21)15(30-2)7-10-28)14(11-24-27)25-18(29)16-17(22)31-19(26-16)13-5-3-4-8-23-13/h3-5,8,11-12,15H,6-7,9-10,21-22H2,1-2H3,(H,25,29)
InChIKeyPBLOMLMYVIHQRV-UHFFFAOYSA-N
MW442.55 g/mol
LogP1.72
Rot. Bonds5

About 5-amino-N-[5-(4-amino-5-methoxyazepan-1-yl)-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide

5-amino-N-[5-(4-amino-5-methoxyazepan-1-yl)-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 74983191) has the molecular formula C20H26N8O2S and a molecular weight of 442.55 g/mol. Its IUPAC name is 5-amino-N-[5-(4-amino-5-methoxyazepan-1-yl)-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[5-(4-amino-5-methoxyazepan-1-yl)-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
PubChem CID74983191
Molecular FormulaC20H26N8O2S
Molecular Weight442.55 g/mol
Exact Mass442.19
IUPAC Name5-amino-N-[5-(4-amino-5-methoxyazepan-1-yl)-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
SMILESCOC1CCN(c2c(NC(=O)c3nc(-c4ccccn4)sc3N)cnn2C)CCC1N
InChIInChI=1S/C20H26N8O2S/c1-27-20(28-9-6-12(21)15(30-2)7-10-28)14(11-24-27)25-18(29)16-17(22)31-19(26-16)13-5-3-4-8-23-13/h3-5,8,11-12,15H,6-7,9-10,21-22H2,1-2H3,(H,25,29)
InChIKeyPBLOMLMYVIHQRV-UHFFFAOYSA-N
XLogP1.72
TPSA137.21 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.55
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[5-(4-amino-5-methoxyazepan-1-yl)-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-N-[5-(4-amino-5-methoxyazepan-1-yl)-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide (CID 74983191) is 5-amino-N-[5-(4-amino-5-methoxyazepan-1-yl)-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[5-(4-amino-5-methoxyazepan-1-yl)-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[5-(4-amino-5-methoxyazepan-1-yl)-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide is COC1CCN(c2c(NC(=O)c3nc(-c4ccccn4)sc3N)cnn2C)CCC1N.
What is the InChIKey of 5-amino-N-[5-(4-amino-5-methoxyazepan-1-yl)-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is PBLOMLMYVIHQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O2S/c1-27-20(28-9-6-12(21)15(30-2)7-10-28)14(11-24-27)25-18(29)16-17(22)31-19(26-16)13-5-3-4-8-23-13/h3-5,8,11-12,15H,6-7,9-10,21-22H2,1-2H3,(H,25,29).
What are the key properties of 5-amino-N-[5-(4-amino-5-methoxyazepan-1-yl)-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide?
5-amino-N-[5-(4-amino-5-methoxyazepan-1-yl)-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 442.55 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[5-(4-amino-5-methoxyazepan-1-yl)-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 74983191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).