1-aminopropan-2-ol;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-hydroxypropyl)pyridine-2-carboxamide;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid

C42H42N12O5 — CID 157094910

IUPAC1-aminopropan-2-ol;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-hydroxypropyl)pyridine-2-carboxamide;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid
SMILESCC(O)CN.CC(O)CNC(=O)c1cccc(-n2ncc3ccc(-c4cncc(N)c4)cc32)n1.Nc1cncc(-c2ccc3cnn(-c4cccc(C(=O)O)n4)c3c2)c1
InChIInChI=1S/C21H20N6O2.C18H13N5O2.C3H9NO/c1-13(28)9-24-21(29)18-3-2-4-20(26-18)27-19-8-14(5-6-15(19)11-25-27)16-7-17(22)12-23-10-16;19-14-6-13(8-20-10-14)11-4-5-12-9-21-23(16(12)7-11)17-3-1-2-15(22-17)18(24)25;1-3(5)2-4/h2-8,10-13,28H,9,22H2,1H3,(H,24,29);1-10H,19H2,(H,24,25);3,5H,2,4H2,1H3
InChIKeyAFCCTYKSEFMHIB-UHFFFAOYSA-N
MW794.88 g/mol
LogP4.26
Rot. Bonds9

About 1-aminopropan-2-ol;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-hydroxypropyl)pyridine-2-carboxamide;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid

1-aminopropan-2-ol;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-hydroxypropyl)pyridine-2-carboxamide;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid (PubChem CID 157094910) has the molecular formula C42H42N12O5 and a molecular weight of 794.88 g/mol. Its IUPAC name is 1-aminopropan-2-ol;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-hydroxypropyl)pyridine-2-carboxamide;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-aminopropan-2-ol;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-hydroxypropyl)pyridine-2-carboxamide;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid
PubChem CID157094910
Molecular FormulaC42H42N12O5
Molecular Weight794.88 g/mol
Exact Mass794.34
IUPAC Name1-aminopropan-2-ol;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-hydroxypropyl)pyridine-2-carboxamide;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid
SMILESCC(O)CN.CC(O)CNC(=O)c1cccc(-n2ncc3ccc(-c4cncc(N)c4)cc32)n1.Nc1cncc(-c2ccc3cnn(-c4cccc(C(=O)O)n4)c3c2)c1
InChIInChI=1S/C21H20N6O2.C18H13N5O2.C3H9NO/c1-13(28)9-24-21(29)18-3-2-4-20(26-18)27-19-8-14(5-6-15(19)11-25-27)16-7-17(22)12-23-10-16;19-14-6-13(8-20-10-14)11-4-5-12-9-21-23(16(12)7-11)17-3-1-2-15(22-17)18(24)25;1-3(5)2-4/h2-8,10-13,28H,9,22H2,1H3,(H,24,29);1-10H,19H2,(H,24,25);3,5H,2,4H2,1H3
InChIKeyAFCCTYKSEFMHIB-UHFFFAOYSA-N
XLogP4.26
TPSA272.12 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500794.88
LogP ≤ 54.26
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Analyze 1-aminopropan-2-ol;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-hydroxypropyl)pyridine-2-carboxamide;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid with MolForge

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Related Compounds

N-[2-[4-[[[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 163399873
US10759793, Example 79
CID 124125740
1-methyl-4-[4-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]pyrazole-5-carboxylic acid
CID 86279238
US10246456, Example 567
CID 118663738
US10246456, Example 68
CID 118664056
US10246456, Example 65
CID 118664109
US10246456, Example 548
CID 118664163
US10246456, Example 66
CID 118664417
US10246456, Example 316
CID 118664673
US10246456, Example 30
CID 118664727
US20240025884, Example 128
CID 170672849
US10577367, Example 472
CID 118664101

Frequently Asked Questions

What is the IUPAC name of 1-aminopropan-2-ol;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-hydroxypropyl)pyridine-2-carboxamide;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 1-aminopropan-2-ol;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-hydroxypropyl)pyridine-2-carboxamide;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid (CID 157094910) is 1-aminopropan-2-ol;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-hydroxypropyl)pyridine-2-carboxamide;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 1-aminopropan-2-ol;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-hydroxypropyl)pyridine-2-carboxamide;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 1-aminopropan-2-ol;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-hydroxypropyl)pyridine-2-carboxamide;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid is CC(O)CN.CC(O)CNC(=O)c1cccc(-n2ncc3ccc(-c4cncc(N)c4)cc32)n1.Nc1cncc(-c2ccc3cnn(-c4cccc(C(=O)O)n4)c3c2)c1.
What is the InChIKey of 1-aminopropan-2-ol;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-hydroxypropyl)pyridine-2-carboxamide;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid?
The InChIKey is AFCCTYKSEFMHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2.C18H13N5O2.C3H9NO/c1-13(28)9-24-21(29)18-3-2-4-20(26-18)27-19-8-14(5-6-15(19)11-25-27)16-7-17(22)12-23-10-16;19-14-6-13(8-20-10-14)11-4-5-12-9-21-23(16(12)7-11)17-3-1-2-15(22-17)18(24)25;1-3(5)2-4/h2-8,10-13,28H,9,22H2,1H3,(H,24,29);1-10H,19H2,(H,24,25);3,5H,2,4H2,1H3.
What are the key properties of 1-aminopropan-2-ol;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-hydroxypropyl)pyridine-2-carboxamide;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid?
1-aminopropan-2-ol;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-hydroxypropyl)pyridine-2-carboxamide;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid has a molecular weight of 794.88 g/mol, XLogP of 4.26, 9 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropan-2-ol;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-hydroxypropyl)pyridine-2-carboxamide;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 157094910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).