N-[5-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C24H28N8O3S — CID 167138837

IUPACN-[5-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCC1NC=C(NC(=O)CNCC2CC2)C=C1NC(=O)c1cnn2cc(-c3cnn4c3OCCC4)sc12
InChIInChI=1S/C24H28N8O3S/c1-14-19(7-16(9-26-14)29-21(33)12-25-8-15-3-4-15)30-22(34)18-11-28-32-13-20(36-24(18)32)17-10-27-31-5-2-6-35-23(17)31/h7,9-11,13-15,25-26H,2-6,8,12H2,1H3,(H,29,33)(H,30,34)
InChIKeyKVIVPLTXLXHJGY-UHFFFAOYSA-N
MW508.61 g/mol
LogP1.60
Rot. Bonds8

About N-[5-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

N-[5-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 167138837) has the molecular formula C24H28N8O3S and a molecular weight of 508.61 g/mol. Its IUPAC name is N-[5-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID167138837
Molecular FormulaC24H28N8O3S
Molecular Weight508.61 g/mol
Exact Mass508.20
IUPAC NameN-[5-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCC1NC=C(NC(=O)CNCC2CC2)C=C1NC(=O)c1cnn2cc(-c3cnn4c3OCCC4)sc12
InChIInChI=1S/C24H28N8O3S/c1-14-19(7-16(9-26-14)29-21(33)12-25-8-15-3-4-15)30-22(34)18-11-28-32-13-20(36-24(18)32)17-10-27-31-5-2-6-35-23(17)31/h7,9-11,13-15,25-26H,2-6,8,12H2,1H3,(H,29,33)(H,30,34)
InChIKeyKVIVPLTXLXHJGY-UHFFFAOYSA-N
XLogP1.60
TPSA126.61 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.61
LogP ≤ 51.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze N-[5-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The IUPAC name of N-[5-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 167138837) is N-[5-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.
What is the SMILES notation for N-[5-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The canonical SMILES for N-[5-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is CC1NC=C(NC(=O)CNCC2CC2)C=C1NC(=O)c1cnn2cc(-c3cnn4c3OCCC4)sc12.
What is the InChIKey of N-[5-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is KVIVPLTXLXHJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O3S/c1-14-19(7-16(9-26-14)29-21(33)12-25-8-15-3-4-15)30-22(34)18-11-28-32-13-20(36-24(18)32)17-10-27-31-5-2-6-35-23(17)31/h7,9-11,13-15,25-26H,2-6,8,12H2,1H3,(H,29,33)(H,30,34).
What are the key properties of N-[5-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
N-[5-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 508.61 g/mol, XLogP of 1.60, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 167138837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).