1-(cyclopropylmethyl)-N-methyl-5-(naphthalene-1-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C27H27N5O2S — CID 26227985

About 1-(cyclopropylmethyl)-N-methyl-5-(naphthalene-1-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

1-(cyclopropylmethyl)-N-methyl-5-(naphthalene-1-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26227985) has the molecular formula C27H27N5O2S and a molecular weight of 485.61 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-methyl-5-(naphthalene-1-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(cyclopropylmethyl)-N-methyl-5-(naphthalene-1-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 26227985
• Molecular Formula: C27H27N5O2S
• Molecular Weight: 485.61 g/mol
• Exact Mass: 485.19
• IUPAC Name: 1-(cyclopropylmethyl)-N-methyl-5-(naphthalene-1-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: CN(Cc1cscn1)C(=O)c1nn(CC2CC2)c2c1CN(C(=O)c1cccc3ccccc13)CC2
• InChI: InChI=1S/C27H27N5O2S/c1-30(14-20-16-35-17-28-20)27(34)25-23-15-31(12-11-24(23)32(29-25)13-18-9-10-18)26(33)22-8-4-6-19-5-2-3-7-21(19)22/h2-8,16-18H,9-15H2,1H3
• InChIKey: XMOGCORIOPIFAJ-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 71.33 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.61
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-methyl-5-(naphthalene-1-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The IUPAC name of 1-(cyclopropylmethyl)-N-methyl-5-(naphthalene-1-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26227985) is 1-(cyclopropylmethyl)-N-methyl-5-(naphthalene-1-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 1-(cyclopropylmethyl)-N-methyl-5-(naphthalene-1-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for 1-(cyclopropylmethyl)-N-methyl-5-(naphthalene-1-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CN(Cc1cscn1)C(=O)c1nn(CC2CC2)c2c1CN(C(=O)c1cccc3ccccc13)CC2.

What is the InChIKey of 1-(cyclopropylmethyl)-N-methyl-5-(naphthalene-1-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The InChIKey is XMOGCORIOPIFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2S/c1-30(14-20-16-35-17-28-20)27(34)25-23-15-31(12-11-24(23)32(29-25)13-18-9-10-18)26(33)22-8-4-6-19-5-2-3-7-21(19)22/h2-8,16-18H,9-15H2,1H3.

What are the key properties of 1-(cyclopropylmethyl)-N-methyl-5-(naphthalene-1-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

1-(cyclopropylmethyl)-N-methyl-5-(naphthalene-1-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 485.61 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclopropylmethyl)-N-methyl-5-(naphthalene-1-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26227985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).