6-(4-methylpiperazin-1-yl)-1-(3-morpholin-4-ylpropyl)-N-(piperidin-4-ylmethyl)indazol-4-amine

C25H41N7O — CID 171478117

IUPAC6-(4-methylpiperazin-1-yl)-1-(3-morpholin-4-ylpropyl)-N-(piperidin-4-ylmethyl)indazol-4-amine
SMILESCN1CCN(c2cc(NCC3CCNCC3)c3cnn(CCCN4CCOCC4)c3c2)CC1
InChIInChI=1S/C25H41N7O/c1-29-9-11-31(12-10-29)22-17-24(27-19-21-3-5-26-6-4-21)23-20-28-32(25(23)18-22)8-2-7-30-13-15-33-16-14-30/h17-18,20-21,26-27H,2-16,19H2,1H3
InChIKeyNFVPMTNVCBCXHF-UHFFFAOYSA-N
MW455.65 g/mol
LogP1.92
Rot. Bonds8

About 6-(4-methylpiperazin-1-yl)-1-(3-morpholin-4-ylpropyl)-N-(piperidin-4-ylmethyl)indazol-4-amine

6-(4-methylpiperazin-1-yl)-1-(3-morpholin-4-ylpropyl)-N-(piperidin-4-ylmethyl)indazol-4-amine (PubChem CID 171478117) has the molecular formula C25H41N7O and a molecular weight of 455.65 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-1-(3-morpholin-4-ylpropyl)-N-(piperidin-4-ylmethyl)indazol-4-amine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-1-(3-morpholin-4-ylpropyl)-N-(piperidin-4-ylmethyl)indazol-4-amine
PubChem CID171478117
Molecular FormulaC25H41N7O
Molecular Weight455.65 g/mol
Exact Mass455.34
IUPAC Name6-(4-methylpiperazin-1-yl)-1-(3-morpholin-4-ylpropyl)-N-(piperidin-4-ylmethyl)indazol-4-amine
SMILESCN1CCN(c2cc(NCC3CCNCC3)c3cnn(CCCN4CCOCC4)c3c2)CC1
InChIInChI=1S/C25H41N7O/c1-29-9-11-31(12-10-29)22-17-24(27-19-21-3-5-26-6-4-21)23-20-28-32(25(23)18-22)8-2-7-30-13-15-33-16-14-30/h17-18,20-21,26-27H,2-16,19H2,1H3
InChIKeyNFVPMTNVCBCXHF-UHFFFAOYSA-N
XLogP1.92
TPSA60.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.65
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-1-(3-morpholin-4-ylpropyl)-N-(piperidin-4-ylmethyl)indazol-4-amine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-1-(3-morpholin-4-ylpropyl)-N-(piperidin-4-ylmethyl)indazol-4-amine (CID 171478117) is 6-(4-methylpiperazin-1-yl)-1-(3-morpholin-4-ylpropyl)-N-(piperidin-4-ylmethyl)indazol-4-amine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-1-(3-morpholin-4-ylpropyl)-N-(piperidin-4-ylmethyl)indazol-4-amine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-1-(3-morpholin-4-ylpropyl)-N-(piperidin-4-ylmethyl)indazol-4-amine is CN1CCN(c2cc(NCC3CCNCC3)c3cnn(CCCN4CCOCC4)c3c2)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-1-(3-morpholin-4-ylpropyl)-N-(piperidin-4-ylmethyl)indazol-4-amine?
The InChIKey is NFVPMTNVCBCXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N7O/c1-29-9-11-31(12-10-29)22-17-24(27-19-21-3-5-26-6-4-21)23-20-28-32(25(23)18-22)8-2-7-30-13-15-33-16-14-30/h17-18,20-21,26-27H,2-16,19H2,1H3.
What are the key properties of 6-(4-methylpiperazin-1-yl)-1-(3-morpholin-4-ylpropyl)-N-(piperidin-4-ylmethyl)indazol-4-amine?
6-(4-methylpiperazin-1-yl)-1-(3-morpholin-4-ylpropyl)-N-(piperidin-4-ylmethyl)indazol-4-amine has a molecular weight of 455.65 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-1-(3-morpholin-4-ylpropyl)-N-(piperidin-4-ylmethyl)indazol-4-amine is sourced from PubChem (CID 171478117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).