3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-pyrazol-1-yl-1H-indazole

C24H24N6 — CID 135559066

IUPAC3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-pyrazol-1-yl-1H-indazole
SMILESc1cnn(-c2ccc3c(-c4cc5cc(CN6CCCCC6)ccc5[nH]4)n[nH]c3c2)c1
InChIInChI=1S/C24H24N6/c1-2-10-29(11-3-1)16-17-5-8-21-18(13-17)14-23(26-21)24-20-7-6-19(15-22(20)27-28-24)30-12-4-9-25-30/h4-9,12-15,26H,1-3,10-11,16H2,(H,27,28)
InChIKeyDEUPBQNMDIBCLK-UHFFFAOYSA-N
MW396.50 g/mol
LogP4.88
Rot. Bonds4

About 3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-pyrazol-1-yl-1H-indazole

3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-pyrazol-1-yl-1H-indazole (PubChem CID 135559066) has the molecular formula C24H24N6 and a molecular weight of 396.50 g/mol. Its IUPAC name is 3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-pyrazol-1-yl-1H-indazole.

Molecular Properties

Compound Name3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-pyrazol-1-yl-1H-indazole
PubChem CID135559066
Molecular FormulaC24H24N6
Molecular Weight396.50 g/mol
Exact Mass396.21
IUPAC Name3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-pyrazol-1-yl-1H-indazole
SMILESc1cnn(-c2ccc3c(-c4cc5cc(CN6CCCCC6)ccc5[nH]4)n[nH]c3c2)c1
InChIInChI=1S/C24H24N6/c1-2-10-29(11-3-1)16-17-5-8-21-18(13-17)14-23(26-21)24-20-7-6-19(15-22(20)27-28-24)30-12-4-9-25-30/h4-9,12-15,26H,1-3,10-11,16H2,(H,27,28)
InChIKeyDEUPBQNMDIBCLK-UHFFFAOYSA-N
XLogP4.88
TPSA65.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-pyridin-4-yl-1H-indazole
CID 12412578
[5-(3-{5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl}-1H-indazol-6-yl)-1H-1,2,3-triazol-4-yl]methanamine
CID 135438541
3-(5-((4-(aminomethyl)piperidin-1-yl)methyl)-1H-indol-2-yl)-1H-indazole-6-carbonitrile
CID 135525556
2,4,5,10-Tetrahydropyrazolo[3,4-a]carbazole
CID 645436
5-(5-{[(2S)-2-amino-3-(1H-indol-3-yl)propyl]sulfanyl}pyridin-3-yl)-3-methyl-1H-indazole
CID 23647014
1-(4-{[2-(1H-indazol-3-yl)-1H-indol-5-yl]methyl}piperazin-1-yl)ethan-1-one
CID 135559055
4-({2-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl}methyl)morpholine
CID 135559059
4-({2-[6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl}methyl)morpholine
CID 135559060
4-({2-[6-(1H-pyrazol-5-yl)-1H-indazol-3-yl]-1H-indol-5-yl}methyl)morpholine
CID 135559061
4-{3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazol-6-yl}-1,2-thiazole
CID 135559062
2-{3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazol-6-yl}-1,3-thiazole
CID 135559063
3-[5-(Piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(1h-1,2,3-triazol-1-yl)-1h-indazole
CID 135559064

Frequently Asked Questions

What is the IUPAC name of 3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-pyrazol-1-yl-1H-indazole?
The IUPAC name of 3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-pyrazol-1-yl-1H-indazole (CID 135559066) is 3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-pyrazol-1-yl-1H-indazole.
What is the SMILES notation for 3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-pyrazol-1-yl-1H-indazole?
The canonical SMILES for 3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-pyrazol-1-yl-1H-indazole is c1cnn(-c2ccc3c(-c4cc5cc(CN6CCCCC6)ccc5[nH]4)n[nH]c3c2)c1.
What is the InChIKey of 3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-pyrazol-1-yl-1H-indazole?
The InChIKey is DEUPBQNMDIBCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6/c1-2-10-29(11-3-1)16-17-5-8-21-18(13-17)14-23(26-21)24-20-7-6-19(15-22(20)27-28-24)30-12-4-9-25-30/h4-9,12-15,26H,1-3,10-11,16H2,(H,27,28).
What are the key properties of 3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-pyrazol-1-yl-1H-indazole?
3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-pyrazol-1-yl-1H-indazole has a molecular weight of 396.50 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-pyrazol-1-yl-1H-indazole is sourced from PubChem (CID 135559066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).