3-(1,2,5,8a-tetrahydroimidazo[4,5-f]indazol-6-yl)-5-methyl-N-(piperidin-4-ylmethyl)-1H-pyrazole-4-carboxamide

C19H24N8O — CID 136611089

IUPAC3-(1,2,5,8a-tetrahydroimidazo[4,5-f]indazol-6-yl)-5-methyl-N-(piperidin-4-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(-c2nc3c([nH]2)=CC2=CNNC2C=3)c1C(=O)NCC1CCNCC1
InChIInChI=1S/C19H24N8O/c1-10-16(19(28)21-8-11-2-4-20-5-3-11)17(27-25-10)18-23-14-6-12-9-22-26-13(12)7-15(14)24-18/h6-7,9,11,13,20,22,26H,2-5,8H2,1H3,(H,21,28)(H,23,24)(H,25,27)
InChIKeyMEIUFNVVLRKVSG-UHFFFAOYSA-N
MW380.46 g/mol
LogP-1.23
Rot. Bonds4

About 3-(1,2,5,8a-tetrahydroimidazo[4,5-f]indazol-6-yl)-5-methyl-N-(piperidin-4-ylmethyl)-1H-pyrazole-4-carboxamide

3-(1,2,5,8a-tetrahydroimidazo[4,5-f]indazol-6-yl)-5-methyl-N-(piperidin-4-ylmethyl)-1H-pyrazole-4-carboxamide (PubChem CID 136611089) has the molecular formula C19H24N8O and a molecular weight of 380.46 g/mol. Its IUPAC name is 3-(1,2,5,8a-tetrahydroimidazo[4,5-f]indazol-6-yl)-5-methyl-N-(piperidin-4-ylmethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(1,2,5,8a-tetrahydroimidazo[4,5-f]indazol-6-yl)-5-methyl-N-(piperidin-4-ylmethyl)-1H-pyrazole-4-carboxamide
PubChem CID136611089
Molecular FormulaC19H24N8O
Molecular Weight380.46 g/mol
Exact Mass380.21
IUPAC Name3-(1,2,5,8a-tetrahydroimidazo[4,5-f]indazol-6-yl)-5-methyl-N-(piperidin-4-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(-c2nc3c([nH]2)=CC2=CNNC2C=3)c1C(=O)NCC1CCNCC1
InChIInChI=1S/C19H24N8O/c1-10-16(19(28)21-8-11-2-4-20-5-3-11)17(27-25-10)18-23-14-6-12-9-22-26-13(12)7-15(14)24-18/h6-7,9,11,13,20,22,26H,2-5,8H2,1H3,(H,21,28)(H,23,24)(H,25,27)
InChIKeyMEIUFNVVLRKVSG-UHFFFAOYSA-N
XLogP-1.23
TPSA122.55 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.46
LogP ≤ 5-1.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,5,8a-tetrahydroimidazo[4,5-f]indazol-6-yl)-5-methyl-N-(piperidin-4-ylmethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-(1,2,5,8a-tetrahydroimidazo[4,5-f]indazol-6-yl)-5-methyl-N-(piperidin-4-ylmethyl)-1H-pyrazole-4-carboxamide (CID 136611089) is 3-(1,2,5,8a-tetrahydroimidazo[4,5-f]indazol-6-yl)-5-methyl-N-(piperidin-4-ylmethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-(1,2,5,8a-tetrahydroimidazo[4,5-f]indazol-6-yl)-5-methyl-N-(piperidin-4-ylmethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-(1,2,5,8a-tetrahydroimidazo[4,5-f]indazol-6-yl)-5-methyl-N-(piperidin-4-ylmethyl)-1H-pyrazole-4-carboxamide is Cc1[nH]nc(-c2nc3c([nH]2)=CC2=CNNC2C=3)c1C(=O)NCC1CCNCC1.
What is the InChIKey of 3-(1,2,5,8a-tetrahydroimidazo[4,5-f]indazol-6-yl)-5-methyl-N-(piperidin-4-ylmethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is MEIUFNVVLRKVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O/c1-10-16(19(28)21-8-11-2-4-20-5-3-11)17(27-25-10)18-23-14-6-12-9-22-26-13(12)7-15(14)24-18/h6-7,9,11,13,20,22,26H,2-5,8H2,1H3,(H,21,28)(H,23,24)(H,25,27).
What are the key properties of 3-(1,2,5,8a-tetrahydroimidazo[4,5-f]indazol-6-yl)-5-methyl-N-(piperidin-4-ylmethyl)-1H-pyrazole-4-carboxamide?
3-(1,2,5,8a-tetrahydroimidazo[4,5-f]indazol-6-yl)-5-methyl-N-(piperidin-4-ylmethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 380.46 g/mol, XLogP of -1.23, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,5,8a-tetrahydroimidazo[4,5-f]indazol-6-yl)-5-methyl-N-(piperidin-4-ylmethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 136611089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).