(4-methylpiperazin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone

C22H22N6O — CID 134191654

IUPAC(4-methylpiperazin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone
SMILESCN1CCN(C(=O)c2cccc3cc(Nc4n[nH]c5cccnc45)ccc23)CC1
InChIInChI=1S/C22H22N6O/c1-27-10-12-28(13-11-27)22(29)18-5-2-4-15-14-16(7-8-17(15)18)24-21-20-19(25-26-21)6-3-9-23-20/h2-9,14H,10-13H2,1H3,(H2,24,25,26)
InChIKeyWOPZDZXLFSXSSX-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.24
Rot. Bonds3

About (4-methylpiperazin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone

(4-methylpiperazin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone (PubChem CID 134191654) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone
PubChem CID134191654
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name(4-methylpiperazin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone
SMILESCN1CCN(C(=O)c2cccc3cc(Nc4n[nH]c5cccnc45)ccc23)CC1
InChIInChI=1S/C22H22N6O/c1-27-10-12-28(13-11-27)22(29)18-5-2-4-15-14-16(7-8-17(15)18)24-21-20-19(25-26-21)6-3-9-23-20/h2-9,14H,10-13H2,1H3,(H2,24,25,26)
InChIKeyWOPZDZXLFSXSSX-UHFFFAOYSA-N
XLogP3.24
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone (CID 134191654) is (4-methylpiperazin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone is CN1CCN(C(=O)c2cccc3cc(Nc4n[nH]c5cccnc45)ccc23)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone?
The InChIKey is WOPZDZXLFSXSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-27-10-12-28(13-11-27)22(29)18-5-2-4-15-14-16(7-8-17(15)18)24-21-20-19(25-26-21)6-3-9-23-20/h2-9,14H,10-13H2,1H3,(H2,24,25,26).
What are the key properties of (4-methylpiperazin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone?
(4-methylpiperazin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone has a molecular weight of 386.46 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone is sourced from PubChem (CID 134191654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).