4-amino-4-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]-4-(1-methylpyrazol-3-yl)indazol-6-yl]-2-pyridinyl]butan-1-ol

C26H27N7O2 — CID 118663731

IUPAC4-amino-4-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]-4-(1-methylpyrazol-3-yl)indazol-6-yl]-2-pyridinyl]butan-1-ol
SMILESCn1ccc(-c2cc(-c3cccc(C(N)CCCO)n3)cc3c2cnn3-c2cccc(CO)n2)n1
InChIInChI=1S/C26H27N7O2/c1-32-11-10-23(31-32)19-13-17(22-7-3-8-24(30-22)21(27)6-4-12-34)14-25-20(19)15-28-33(25)26-9-2-5-18(16-35)29-26/h2-3,5,7-11,13-15,21,34-35H,4,6,12,16,27H2,1H3
InChIKeyVPPNUDLOTNFTOW-UHFFFAOYSA-N
MW469.55 g/mol
LogP3.15
Rot. Bonds8

About 4-amino-4-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]-4-(1-methylpyrazol-3-yl)indazol-6-yl]-2-pyridinyl]butan-1-ol

4-amino-4-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]-4-(1-methylpyrazol-3-yl)indazol-6-yl]-2-pyridinyl]butan-1-ol (PubChem CID 118663731) has the molecular formula C26H27N7O2 and a molecular weight of 469.55 g/mol. Its IUPAC name is 4-amino-4-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]-4-(1-methylpyrazol-3-yl)indazol-6-yl]-2-pyridinyl]butan-1-ol.

Molecular Properties

Compound Name4-amino-4-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]-4-(1-methylpyrazol-3-yl)indazol-6-yl]-2-pyridinyl]butan-1-ol
PubChem CID118663731
Molecular FormulaC26H27N7O2
Molecular Weight469.55 g/mol
Exact Mass469.22
IUPAC Name4-amino-4-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]-4-(1-methylpyrazol-3-yl)indazol-6-yl]-2-pyridinyl]butan-1-ol
SMILESCn1ccc(-c2cc(-c3cccc(C(N)CCCO)n3)cc3c2cnn3-c2cccc(CO)n2)n1
InChIInChI=1S/C26H27N7O2/c1-32-11-10-23(31-32)19-13-17(22-7-3-8-24(30-22)21(27)6-4-12-34)14-25-20(19)15-28-33(25)26-9-2-5-18(16-35)29-26/h2-3,5,7-11,13-15,21,34-35H,4,6,12,16,27H2,1H3
InChIKeyVPPNUDLOTNFTOW-UHFFFAOYSA-N
XLogP3.15
TPSA127.90 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-amino-4-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]-4-(1-methylpyrazol-3-yl)indazol-6-yl]-2-pyridinyl]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(1-Benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methanol
CID 21945809
(3-(8-(6-(2-Methylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)phenyl)methanol
CID 71451823
[3-[4-Amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]methanol
CID 155534735
{4-[2,6-Bis-((R)-3-methyl-morpholin-4-yl)-9H-purin-8-yl]-1H-indol-6-yl}-methanol
CID 71522969
4-(6-(6-(1-Methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-1-yl)pyridin-2-yl)azepan-4-ol
CID 72714576
US10246456, Example 564
CID 118663642
US10246456, Example 579
CID 118663645
US10246456, Example 437
CID 118663658
US10577367, Example 452
CID 118663769
US10246456, Example 427
CID 118663821
US10246456, Example 545
CID 118663832
US10246456, Example 57
CID 118663877

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]-4-(1-methylpyrazol-3-yl)indazol-6-yl]-2-pyridinyl]butan-1-ol?
The IUPAC name of 4-amino-4-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]-4-(1-methylpyrazol-3-yl)indazol-6-yl]-2-pyridinyl]butan-1-ol (CID 118663731) is 4-amino-4-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]-4-(1-methylpyrazol-3-yl)indazol-6-yl]-2-pyridinyl]butan-1-ol.
What is the SMILES notation for 4-amino-4-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]-4-(1-methylpyrazol-3-yl)indazol-6-yl]-2-pyridinyl]butan-1-ol?
The canonical SMILES for 4-amino-4-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]-4-(1-methylpyrazol-3-yl)indazol-6-yl]-2-pyridinyl]butan-1-ol is Cn1ccc(-c2cc(-c3cccc(C(N)CCCO)n3)cc3c2cnn3-c2cccc(CO)n2)n1.
What is the InChIKey of 4-amino-4-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]-4-(1-methylpyrazol-3-yl)indazol-6-yl]-2-pyridinyl]butan-1-ol?
The InChIKey is VPPNUDLOTNFTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O2/c1-32-11-10-23(31-32)19-13-17(22-7-3-8-24(30-22)21(27)6-4-12-34)14-25-20(19)15-28-33(25)26-9-2-5-18(16-35)29-26/h2-3,5,7-11,13-15,21,34-35H,4,6,12,16,27H2,1H3.
What are the key properties of 4-amino-4-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]-4-(1-methylpyrazol-3-yl)indazol-6-yl]-2-pyridinyl]butan-1-ol?
4-amino-4-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]-4-(1-methylpyrazol-3-yl)indazol-6-yl]-2-pyridinyl]butan-1-ol has a molecular weight of 469.55 g/mol, XLogP of 3.15, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]-4-(1-methylpyrazol-3-yl)indazol-6-yl]-2-pyridinyl]butan-1-ol is sourced from PubChem (CID 118663731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).