N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-methoxy-N-methyl-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

C25H27N5O5S — CID 175742991

About N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-methoxy-N-methyl-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-methoxy-N-methyl-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 175742991) has the molecular formula C25H27N5O5S and a molecular weight of 509.59 g/mol. Its IUPAC name is N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-methoxy-N-methyl-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-methoxy-N-methyl-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
• PubChem CID: 175742991
• Molecular Formula: C25H27N5O5S
• Molecular Weight: 509.59 g/mol
• Exact Mass: 509.17
• IUPAC Name: N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-methoxy-N-methyl-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
• SMILES: COC1Oc2ccc(-c3ccn(C)n3)cc2-c2c1c(C(=O)N(C)C(C)(CO)CO)nn2-c1ccsc1
• InChI: InChI=1S/C25H27N5O5S/c1-25(13-31,14-32)29(3)23(33)21-20-22(30(27-21)16-8-10-36-12-16)17-11-15(18-7-9-28(2)26-18)5-6-19(17)35-24(20)34-4/h5-12,24,31-32H,13-14H2,1-4H3
• InChIKey: UGXJFFFFYONRPN-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 114.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.59
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-methoxy-N-methyl-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?

The IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-methoxy-N-methyl-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (CID 175742991) is N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-methoxy-N-methyl-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

What is the SMILES notation for N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-methoxy-N-methyl-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?

The canonical SMILES for N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-methoxy-N-methyl-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is COC1Oc2ccc(-c3ccn(C)n3)cc2-c2c1c(C(=O)N(C)C(C)(CO)CO)nn2-c1ccsc1.

What is the InChIKey of N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-methoxy-N-methyl-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?

The InChIKey is UGXJFFFFYONRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O5S/c1-25(13-31,14-32)29(3)23(33)21-20-22(30(27-21)16-8-10-36-12-16)17-11-15(18-7-9-28(2)26-18)5-6-19(17)35-24(20)34-4/h5-12,24,31-32H,13-14H2,1-4H3.

What are the key properties of N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-methoxy-N-methyl-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?

N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-methoxy-N-methyl-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 509.59 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-methoxy-N-methyl-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 175742991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).